Cas no 2228-30-0 (4(1H)-Pyrimidinone,1-methyl-)
4(1H)-Pyrimidinone,1-methyl- structure
Product Name:4(1H)-Pyrimidinone,1-methyl-
4(1H)-Pyrimidinone,1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone,1-methyl-
- 1-methylpyrimidin-4-one
- 1,4-Dihydro-1-methyl-4-oxo-pyrimidin
- 1-Methyl-1H-pyrimidin-4-on
- 1-methyl-1H-pyrimidin-4-one
- 1-Methyl-4(1H)-pyrimidinone
- 1-methyl-4-pyrimidone
- 1-methylpyrimidin-4(1H)-one
- AC1L6HLL
- AC1Q696Z
- AGN-PC-0CW4R7
- methyl-4-pyrimidone
- NSC157912
- SureCN887516
- SCHEMBL887516
- DTXSID00303341
- NWLPRJINWFMRHH-UHFFFAOYSA-
- InChI=1/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3
- NSC-157912
- NWLPRJINWFMRHH-UHFFFAOYSA-N
- 1-Methyl-4(1H)-pyrimidinone #
- 2228-30-0
- 4(1H)-Pyrimidinone, 1-methyl-
-
- Inchi: 1S/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3
- InChI Key: NWLPRJINWFMRHH-UHFFFAOYSA-N
- SMILES: O=C1C=CN(C=N1)C
Computed Properties
- Exact Mass: 110.04808
- Monoisotopic Mass: 110.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 160
- 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: -0.5
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- Density: 1.14
- Boiling Point: 180.6°Cat760mmHg
- Flash Point: 63°C
- Refractive Index: 1.552
- PSA: 32.67
- LogP: -0.21970
4(1H)-Pyrimidinone,1-methyl- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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