2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide

C19H18N4O — CID 109313507

IUPAC2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H18N4O/c1-13-8-9-16(14(2)12-13)22-19-20-11-10-17(23-19)18(24)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyWVFSYCRMKBOEOE-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.09
Rot. Bonds4

About 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide

2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313507) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109313507
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H18N4O/c1-13-8-9-16(14(2)12-13)22-19-20-11-10-17(23-19)18(24)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyWVFSYCRMKBOEOE-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylanilino)-N-phenylpyrimidine-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-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314747
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(2,4-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314728
methyl 2-[[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109314723
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304896
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109313507) is 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)Nc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is WVFSYCRMKBOEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-8-9-16(14(2)12-13)22-19-20-11-10-17(23-19)18(24)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).