N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C20H22N4O2 — CID 2952911

IUPACN-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC2=NC(C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1
InChIInChI=1S/C20H22N4O2/c1-12-4-7-15(8-5-12)22-20-23-17(11-18(25)24-20)19(26)21-16-9-6-13(2)14(3)10-16/h4-10,17H,11H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyUZOANRZPVQIWRV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.91
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2952911) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2952911
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC2=NC(C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1
InChIInChI=1S/C20H22N4O2/c1-12-4-7-15(8-5-12)22-20-23-17(11-18(25)24-20)19(26)21-16-9-6-13(2)14(3)10-16/h4-10,17H,11H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyUZOANRZPVQIWRV-UHFFFAOYSA-N
XLogP2.91
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2952911) is N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC2=NC(C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is UZOANRZPVQIWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-4-7-15(8-5-12)22-20-23-17(11-18(25)24-20)19(26)21-16-9-6-13(2)14(3)10-16/h4-10,17H,11H2,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2952911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).