Cas no 77378-84-8 (2-Pyrimidinamine, 4-chloro-5-methyl-6-phenyl-)
77378-84-8 structure
Product Name:2-Pyrimidinamine, 4-chloro-5-methyl-6-phenyl-
CAS No:77378-84-8
MF:C11H10ClN3
MW:219.670200824738
CID:536220
PubChem ID:13377422
Update Time:2025-04-19
2-Pyrimidinamine, 4-chloro-5-methyl-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine, 4-chloro-5-methyl-6-phenyl-
- 4-chloro-5-methyl-6-phenylpyrimidin-2-amine
- 77378-84-8
- DTXSID50538707
- CHEMBL4279396
- SCHEMBL11145225
-
- Inchi： 1S/C11H10ClN3/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3,(H2,13,14,15)
- InChI Key： FYDXFOVDFWZZNU-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C(C2C=CC=CC=2)=NC(N)=N1
Computed Properties
- Exact Mass: 219.0565
- Monoisotopic Mass: 219.0563250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 206
- 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: 2.8
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.8
2-Pyrimidinamine, 4-chloro-5-methyl-6-phenyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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