4-(4-Cyanophenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(OC)=NC1c1ccc(C#N)cc1- InChIKey
QYKFOHSCTCWWFD-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-Cyanophenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
- IUPAC
- methyl 4-(4-cyanophenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL2521244QYKFOHSCTCWWFD-UHFFFAOYSA-N4-(4-Cyanophenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67437587
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 522
Related reactions
4 records
Compound notes
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