Cas no 27228-44-0 (4-Pyrimidinamine,5-propyl-)
4-Pyrimidinamine,5-propyl- structure
Product Name:4-Pyrimidinamine,5-propyl-
CAS No:27228-44-0
MF:C7H11N3
MW:137.182340860367
CID:250886
PubChem ID:45080404
Update Time:2025-04-19
4-Pyrimidinamine,5-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,5-propyl-
- 4-Amino-5-propylpyrimidine
- Pyrimidine,4-amino-5-propyl- (8CI)
- 27228-44-0
- 5-propylpyrimidin-4-amine
- AKOS006360647
- SCHEMBL12844554
-
- Inchi： 1S/C7H11N3/c1-2-3-6-4-9-5-10-7(6)8/h4-5H,2-3H2,1H3,(H2,8,9,10)
- InChI Key： VYWYWSXYCPVETP-UHFFFAOYSA-N
- SMILES： N1C=NC=C(C=1N)CCC
Computed Properties
- Exact Mass: 137.09543
- Monoisotopic Mass: 137.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 94.9
- 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
- Topological Polar Surface Area: 51.8A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 51.8
4-Pyrimidinamine,5-propyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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