2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide

C25H22N4O — CID 109265734

IUPAC2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(Cc3ccccc3)c3ccccc3)nc2)cc1
InChIInChI=1S/C25H22N4O/c1-19-12-14-22(15-13-19)28-24(30)21-16-26-25(27-17-21)29(23-10-6-3-7-11-23)18-20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,28,30)
InChIKeyFYISUKWHWURLEN-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.38
Rot. Bonds6

About 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide

2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265734) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265734
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(Cc3ccccc3)c3ccccc3)nc2)cc1
InChIInChI=1S/C25H22N4O/c1-19-12-14-22(15-13-19)28-24(30)21-16-26-25(27-17-21)29(23-10-6-3-7-11-23)18-20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,28,30)
InChIKeyFYISUKWHWURLEN-UHFFFAOYSA-N
XLogP5.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
ethyl 4-[[2-(N-ethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267693
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267691
2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109258516
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
ethyl 4-[[2-(N-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266034
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide (CID 109265734) is 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N(Cc3ccccc3)c3ccccc3)nc2)cc1.
What is the InChIKey of 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is FYISUKWHWURLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-19-12-14-22(15-13-19)28-24(30)21-16-26-25(27-17-21)29(23-10-6-3-7-11-23)18-20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,28,30).
What are the key properties of 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).