Cas no 61416-99-7 (4,5-Pyrimidinedicarboxylic acid, 6-methyl-2-phenyl-, dimethyl ester)
61416-99-7 structure
Product Name:4,5-Pyrimidinedicarboxylic acid, 6-methyl-2-phenyl-, dimethyl ester
CAS No:61416-99-7
MF:C15H14N2O4
MW:286.282663822174
CID:480238
PubChem ID:598561
Update Time:2025-04-19
4,5-Pyrimidinedicarboxylic acid, 6-methyl-2-phenyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Pyrimidinedicarboxylic acid, 6-methyl-2-phenyl-, dimethyl ester
- 6-Methyl-2-phenyl-4,5-pyrimidinedicarboxylic acid dimethyl ester
- dimethyl 6-methyl-2-phenylpyrimidine-4,5-dicarboxylate
- Dimethyl 6-methyl-2-phenyl-4,5-pyrimidinedicarboxylate #
- DTXSID80344656
- DKWVXOFBBFSUIX-UHFFFAOYSA-N
- 61416-99-7
-
- Inchi： 1S/C15H14N2O4/c1-9-11(14(18)20-2)12(15(19)21-3)17-13(16-9)10-7-5-4-6-8-10/h4-8H,1-3H3
- InChI Key： DKWVXOFBBFSUIX-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C(=O)OC)N=C(C2C=CC=CC=2)N=C1C)=O
Computed Properties
- Exact Mass: 286.09542
- Monoisotopic Mass: 286.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 382
- 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: 2.3
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.38
4,5-Pyrimidinedicarboxylic acid, 6-methyl-2-phenyl-, dimethyl ester Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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