2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C21H22N4O2 — CID 109304129

IUPAC2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nccc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-19(27-3)18(12-14)25-21-22-11-10-17(24-21)20(26)23-13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyYKVYOSRFDIDZQM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304129) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304129
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nccc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-19(27-3)18(12-14)25-21-22-11-10-17(24-21)20(26)23-13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyYKVYOSRFDIDZQM-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxy-5-methylanilino)-N-[(2-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

2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109328594
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
methyl 3-[[4-[(2-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304143
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304129) is 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1nccc(C(=O)NCc2ccccc2C)n1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is YKVYOSRFDIDZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-9-19(27-3)18(12-14)25-21-22-11-10-17(24-21)20(26)23-13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).