Cas no 114969-78-7 (2-Pyrimidinecarbonitrile,5-methoxy-4-methyl-)
114969-78-7 structure
Product Name:2-Pyrimidinecarbonitrile,5-methoxy-4-methyl-
CAS No:114969-78-7
MF:C7H7N3O
MW:149.149980783463
CID:130561
PubChem ID:13860975
Update Time:2025-04-19
2-Pyrimidinecarbonitrile,5-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarbonitrile,5-methoxy-4-methyl-
- 2-Pyrimidinecarbonitrile, 5-methoxy-4-methyl- (9CI)
- 5-methoxy-4-methylpyrimidine-2-carbonitrile
- DTXSID701264523
- 5-Methoxy-4-methyl-2-pyrimidinecarbonitrile
- 114969-78-7
-
- Inchi： 1S/C7H7N3O/c1-5-6(11-2)4-9-7(3-8)10-5/h4H,1-2H3
- InChI Key： LJNWZNXXBGZDRK-UHFFFAOYSA-N
- SMILES： O(C)C1=CN=C(C#N)N=C1C
Computed Properties
- Exact Mass: 149.05901
- Monoisotopic Mass: 149.058911855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 0.6
- Topological Polar Surface Area: 58.8?2
Experimental Properties
- PSA: 58.8
2-Pyrimidinecarbonitrile,5-methoxy-4-methyl- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
114969-78-7 (2-Pyrimidinecarbonitrile,5-methoxy-4-methyl-) Related Products
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