2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C21H22N4O — CID 109369063

IUPAC2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3cccc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14-7-9-17(10-8-14)13-22-21(26)19-12-20(24-16(3)23-19)25-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyFWLZCGRKMCSLCI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.08
Rot. Bonds5

About 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109369063) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109369063
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3cccc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14-7-9-17(10-8-14)13-22-21(26)19-12-20(24-16(3)23-19)25-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyFWLZCGRKMCSLCI-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]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

Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
methyl 3-[[6-[(4-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109369929
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109369063) is 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3cccc(C)c3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FWLZCGRKMCSLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-7-9-17(10-8-14)13-22-21(26)19-12-20(24-16(3)23-19)25-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109369063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).