2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C16H18N4O — CID 109361248

IUPAC2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C16H18N4O/c1-4-9-17-15-10-14(18-12(3)19-15)16(21)20-13-7-5-11(2)6-8-13/h4-8,10H,1,9H2,2-3H3,(H,20,21)(H,17,18,19)
InChIKeyAPYZBBZGKLJFDK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109361248) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109361248
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C16H18N4O/c1-4-9-17-15-10-14(18-12(3)19-15)16(21)20-13-7-5-11(2)6-8-13/h4-8,10H,1,9H2,2-3H3,(H,20,21)(H,17,18,19)
InChIKeyAPYZBBZGKLJFDK-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268
N-(2,5-dimethylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361253
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
methyl 4-chloro-3-[[2-methyl-6-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109361305
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162
2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361234
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109361248) is 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is APYZBBZGKLJFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-9-17-15-10-14(18-12(3)19-15)16(21)20-13-7-5-11(2)6-8-13/h4-8,10H,1,9H2,2-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).