Cas no 61456-89-1 (4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)-)
4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)- is a heterocyclic organic compound featuring a pyrimidinone core substituted with a hydroxy group at the 6-position and a 2-methylpropyl moiety at the 2-position. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications. The hydroxy group enhances hydrogen-bonding capacity, while the 2-methylpropyl substituent contributes to lipophilicity, influencing solubility and bioavailability. Its well-defined molecular framework makes it a valuable intermediate in synthetic chemistry, particularly for the development of biologically active compounds. The compound’s stability and functional group compatibility further support its use in diverse research and industrial processes.
61456-89-1 structure
Product Name:4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)-
CAS No:61456-89-1
MF:C8H12N2O2
MW:168.193081855774
CID:478610
PubChem ID:12320327
Update Time:2025-08-03
4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)-
- 4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
- 6-Hydroxy-2-(2-methylpropyl)pyrimidin-4(3H)-one
- 2-Isobutylpyrimidine-4,6-diol
- 1876928-53-8
- 6-Hydroxy-2-isobutylpyrimidin-4(1H)-one
- SB55930
- SCHEMBL1222116
- DTXSID80488382
- 61456-89-1
- KBKLCXNDZBKDDW-UHFFFAOYSA-N
- SY347979
- 6-Hydroxy-2-isobutylpyrimidin-4(3H)-one
- AKOS006234749
-
- Inchi： 1S/C8H12N2O2/c1-5(2)3-6-9-7(11)4-8(12)10-6/h4-5H,3H2,1-2H3,(H2,9,10,11,12)
- InChI Key： KBKLCXNDZBKDDW-UHFFFAOYSA-N
- SMILES： OC1=CC(NC(CC(C)C)=N1)=O
Computed Properties
- Exact Mass: 168.08996
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 61.7?2
Experimental Properties
- PSA: 61.69
4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM522860-1g |
6-Hydroxy-2-isobutylpyrimidin-4(1H)-one |
61456-89-1 | 97% | 1g |
$371 | 2023-02-02 | |
| Alichem | A089001118-5g |
6-Hydroxy-2-isobutylpyrimidin-4(1H)-one |
61456-89-1 | 97% | 5g |
$1065.30 | 2023-09-01 | |
| Alichem | A089001118-10g |
6-Hydroxy-2-isobutylpyrimidin-4(1H)-one |
61456-89-1 | 97% | 10g |
$1313.20 | 2023-09-01 | |
| Alichem | A089001118-25g |
6-Hydroxy-2-isobutylpyrimidin-4(1H)-one |
61456-89-1 | 97% | 25g |
$2460.24 | 2023-09-01 |
4(1H)-Pyrimidinone, 6-hydroxy-2-(2-methylpropyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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