2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C19H20N4O2 — CID 2968952

IUPAC2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1
InChIInChI=1S/C19H20N4O2/c1-12-6-8-14(9-7-12)20-18(25)16-11-17(24)23-19(22-16)21-15-5-3-4-13(2)10-15/h3-10,16H,11H2,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyRWZFDFGDZXPTLO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2968952) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2968952
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1
InChIInChI=1S/C19H20N4O2/c1-12-6-8-14(9-7-12)20-18(25)16-11-17(24)23-19(22-16)21-15-5-3-4-13(2)10-15/h3-10,16H,11H2,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyRWZFDFGDZXPTLO-UHFFFAOYSA-N
XLogP2.60
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyclopropyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 6622829
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952911
3-Benzyl-2-(3,5-dimethyl-phenylamino)-3,5-dihydro-imidazol-4-one
CID 655768
2-(2,3-dihydro-1H-indol-1-yl)-N-(4-methylphenyl)-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 665925
3-Phenethyl-2-m-tolylamino-3,5-dihydro-imidazol-4-one
CID 1454452
2-(3,4-Dimethyl-phenylamino)-3-phenethyl-3,5-dihydro-imidazol-4-one
CID 1454456
N-cyclohexyl-2-[(4-ethylphenyl)amino]-6-oxo-3,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 2969992
N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
2-{3-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-YL}-N-(4-fluorophenyl)acetamide
CID 16009055
2-(4-butylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one;hydrochloride
CID 16192775
(1E)-1-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)-3-(3-methylphenyl)urea
CID 136254203
3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-(m-tolyl)propanamide
CID 280862

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2968952) is 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1.
What is the InChIKey of 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is RWZFDFGDZXPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-8-14(9-7-12)20-18(25)16-11-17(24)23-19(22-16)21-15-5-3-4-13(2)10-15/h3-10,16H,11H2,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2968952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).