Cas no 94829-33-1 (2-Pyrimidinecarbonitrile,1,6-dihydro-4-methyl-6-oxo-)
94829-33-1 structure
Product Name:2-Pyrimidinecarbonitrile,1,6-dihydro-4-methyl-6-oxo-
CAS No:94829-33-1
MF:C6H5N3O
MW:135.123400449753
CID:798891
PubChem ID:136210956
Update Time:2025-04-19
2-Pyrimidinecarbonitrile,1,6-dihydro-4-methyl-6-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarbonitrile,1,6-dihydro-4-methyl-6-oxo-
- 2-Pyrimidinecarbonitrile, 1,4-dihydro-6-methyl-4-oxo- (9CI)
- 4-methyl-6-oxo-1,6-dihydropyrimidine-2-carbonitrile
- 4-methyl-6-oxo-1H-pyrimidine-2-carbonitrile
- 4-hydroxy-6-methylpyrimidine-2-carbonitrile
- FT-0744576
- 2-Pyrimidinecarbonitrile,1,4-dihydro-6-methyl-4-oxo-(9ci)
- 94829-33-1
- SCHEMBL1187259
-
- Inchi： 1S/C6H5N3O/c1-4-2-6(10)9-5(3-7)8-4/h2H,1H3,(H,8,9,10)
- InChI Key： AOFROGKFQOXHPD-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)N=C(C#N)N1
Computed Properties
- Exact Mass: 135.043
- Monoisotopic Mass: 135.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 279
- 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: 65.2A^2
- XLogP3: -0.2
2-Pyrimidinecarbonitrile,1,6-dihydro-4-methyl-6-oxo- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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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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