Cas no 900472-89-1 (4,6-DIAMINO-2-METHYLPYRIMIDINE-5-CARBOXAMIDE)
900472-89-1 structure
Product Name:4,6-DIAMINO-2-METHYLPYRIMIDINE-5-CARBOXAMIDE
CAS No:900472-89-1
MF:C6H9N5O
MW:167.168559789658
CID:1948222
PubChem ID:53440109
Update Time:2025-04-21
4,6-DIAMINO-2-METHYLPYRIMIDINE-5-CARBOXAMIDE Chemical and Physical Properties
Names and Identifiers
-
- 4,6-DIAMINO-2-METHYLPYRIMIDINE-5-CARBOXAMIDE
- AB42175
- 900472-89-1
- SCHEMBL13826175
- AKOS006284626
- DTXSID00702370
-
- Inchi： 1S/C6H9N5O/c1-2-10-4(7)3(6(9)12)5(8)11-2/h1H3,(H2,9,12)(H4,7,8,10,11)
- InChI Key： VTIFLWWHLBRIFS-UHFFFAOYSA-N
- SMILES： O=C(C1=C(N)N=C(C)N=C1N)N
Computed Properties
- Exact Mass: 167.081
- Monoisotopic Mass: 167.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 173
- 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: 121A^2
- XLogP3: -0.1
4,6-DIAMINO-2-METHYLPYRIMIDINE-5-CARBOXAMIDE Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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