2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide

C19H18N4O — CID 109313508

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

About 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide

2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313508) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109313508
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O/c1-13-8-9-14(2)17(12-13)23-19-20-11-10-16(22-19)18(24)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyWSAVMWLMHXDMPF-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

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Related Compounds

2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314895
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
methyl 3-[[4-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314939
2-(2,5-dichloroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314955

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109313508) is 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1ccc(C)c(Nc2nccc(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is WSAVMWLMHXDMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-8-9-14(2)17(12-13)23-19-20-11-10-16(22-19)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-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide?
2-(2,5-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-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).