Cas no 25624-76-4 (4-pyrimidinol, 6-methyl-5-nitro-)
25624-76-4 structure
Product Name:4-pyrimidinol, 6-methyl-5-nitro-
CAS No:25624-76-4
MF:C5H5N3O3
MW:155.111500501633
CID:913931
PubChem ID:135473699
Update Time:2025-04-19
4-pyrimidinol, 6-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-pyrimidinol, 6-methyl-5-nitro-
- 6-AMINO-5-NITRO-4-HYDROXYPYRIMIDINE
- 6-methyl-5-nitro-3H-pyrimidin-4-one
- 6-Methyl-5-nitropyrimidin-4-ol
- 25624-76-4
- SCHEMBL13783697
- 6-Methyl-5-nitropyrimidin-4(3H)-one
-
- Inchi： 1S/C5H5N3O3/c1-3-4(8(10)11)5(9)7-2-6-3/h2H,1H3,(H,6,7,9)
- InChI Key： JCOKXNKTIIGLPD-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)N=CN1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 155.03315
- Monoisotopic Mass: 155.03309103g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 273
- 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: -0.3
- Topological Polar Surface Area: 87.3?2
Experimental Properties
- PSA: 84.6
4-pyrimidinol, 6-methyl-5-nitro- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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