Cas no 60025-11-8 (5-Pyrimidinecarbonitrile, 4-chloro-6-(dimethylamino)-)
60025-11-8 structure
Product Name:5-Pyrimidinecarbonitrile, 4-chloro-6-(dimethylamino)-
CAS No:60025-11-8
MF:C7H7ClN4
MW:182.610279321671
CID:1617895
PubChem ID:12278265
Update Time:2025-04-21
5-Pyrimidinecarbonitrile, 4-chloro-6-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonitrile, 4-chloro-6-(dimethylamino)-
- 4-chloro-6-dimethylamino-pyrimidine-5-carbonitrile
- 4-Chloro-6-(dimethylamino)pyrimidine-5-carbonitrile
- SCHEMBL8242647
- 60025-11-8
-
- Inchi： 1S/C7H7ClN4/c1-12(2)7-5(3-9)6(8)10-4-11-7/h4H,1-2H3
- InChI Key： LPPOUMDFCYJRKR-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(=NC=N1)N(C)C
Computed Properties
- Exact Mass: 182.03611
- Monoisotopic Mass: 182.0359239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 197
- 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: 1.3
- Topological Polar Surface Area: 52.8?2
Experimental Properties
- PSA: 52.81
5-Pyrimidinecarbonitrile, 4-chloro-6-(dimethylamino)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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