Cas no 7331-24-0 (5-(4-chlorophenyl)-6-pentylpyrimidine-2,4-diamine)
7331-24-0 structure
Product Name:5-(4-chlorophenyl)-6-pentylpyrimidine-2,4-diamine
CAS No:7331-24-0
MF:C15H19ClN4
MW:290.791161775589
CID:1760242
PubChem ID:134622
Update Time:2025-04-21
5-(4-chlorophenyl)-6-pentylpyrimidine-2,4-diamine Chemical and Physical Properties
Names and Identifiers
-
- 5-(4-chlorophenyl)-6-pentylpyrimidine-2,4-diamine
- 2,4-Diamino-5-(p-chlorophenyl)-6-pentylpyrimidine
- 5-(4-Chlorophenyl)-2-imino-6-pentyl-2,3-dihydropyrimidin-4-amine
- BW 50-109
- 7331-24-0
- 5-(4-chlorophenyl)-6-pentyl-pyrimidine-2,4-diamine
- Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-pentyl-
- SCHEMBL11593834
- DTXSID60994032
- 2,4-Diamino-5-p-chlorophenyl-6-n-amyl-pyrimidine
-
- Inchi： 1S/C15H19ClN4/c1-2-3-4-5-12-13(14(17)20-15(18)19-12)10-6-8-11(16)9-7-10/h6-9H,2-5H2,1H3,(H4,17,18,19,20)
- InChI Key： CCCYRKZITAFOSX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=C(N)N=C(N)N=C1CCCCC
Computed Properties
- Exact Mass: 290.13007
- Monoisotopic Mass: 290.1298243g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 281
- 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: 4.1
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.82
5-(4-chlorophenyl)-6-pentylpyrimidine-2,4-diamine Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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