Cas no 5767-72-6 (pyrimidine, 4-methoxy-2,5-dimethyl- (7ci,8ci,9ci))
5767-72-6 structure
Product Name:pyrimidine, 4-methoxy-2,5-dimethyl- (7ci,8ci,9ci)
CAS No:5767-72-6
MF:C7H10N2O
MW:138.167101383209
CID:947388
PubChem ID:20800069
Update Time:2025-04-19
pyrimidine, 4-methoxy-2,5-dimethyl- (7ci,8ci,9ci) Chemical and Physical Properties
Names and Identifiers
-
- pyrimidine, 4-methoxy-2,5-dimethyl- (7ci,8ci,9ci)
- DTXSID301301749
- SCHEMBL9918974
- CS-0045582
- 5767-72-6
- 4-methoxy-2,5-dimethylpyrimidine
-
- Inchi： 1S/C7H10N2O/c1-5-4-8-6(2)9-7(5)10-3/h4H,1-3H3
- InChI Key： VPMVTXCEJSJWDU-UHFFFAOYSA-N
- SMILES： O(C)C1C(C)=CN=C(C)N=1
Computed Properties
- Exact Mass: 138.079
- Monoisotopic Mass: 138.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- 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: 35A^2
- XLogP3: 1.3
pyrimidine, 4-methoxy-2,5-dimethyl- (7ci,8ci,9ci) Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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