4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide

C27H26N4O — CID 46111496

IUPAC4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C27H26N4O/c1-18-10-14-23(15-11-18)31(4)26-24(17-28-25(30-26)21-8-6-5-7-9-21)27(32)29-22-13-12-19(2)20(3)16-22/h5-17H,1-4H3,(H,29,32)
InChIKeyUDBPPWHJDFBPBI-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.09
Rot. Bonds5

About 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide

4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 46111496) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID46111496
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C27H26N4O/c1-18-10-14-23(15-11-18)31(4)26-24(17-28-25(30-26)21-8-6-5-7-9-21)27(32)29-22-13-12-19(2)20(3)16-22/h5-17H,1-4H3,(H,29,32)
InChIKeyUDBPPWHJDFBPBI-UHFFFAOYSA-N
XLogP6.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Prt-060318
CID 11493841
8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 16059729
2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
Aminopyrimidine amide, 16
CID 16116847
8-(2,3-Dihydro-1H-inden-5-yl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24880043
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937369
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-{[4-(piperidin-4-yl)phenyl]amino}-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24937746
8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218659

Frequently Asked Questions

What is the IUPAC name of 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide (CID 46111496) is 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide is Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is UDBPPWHJDFBPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-18-10-14-23(15-11-18)31(4)26-24(17-28-25(30-26)21-8-6-5-7-9-21)27(32)29-22-13-12-19(2)20(3)16-22/h5-17H,1-4H3,(H,29,32).
What are the key properties of 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide?
4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 46111496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).