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

C15H16N4O — CID 109320119

IUPAC6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-3-9-16-15-17-11(2)10-13(19-15)14(20)18-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,18,20)(H,16,17,19)
InChIKeyZPQCBDFRMZMTBI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.64
Rot. Bonds5

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

6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109320119) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109320119
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-3-9-16-15-17-11(2)10-13(19-15)14(20)18-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,18,20)(H,16,17,19)
InChIKeyZPQCBDFRMZMTBI-UHFFFAOYSA-N
XLogP2.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.64
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-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128
6-methyl-N-(2-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320120
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320177
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320184
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109320119) is 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1nc(C)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is ZPQCBDFRMZMTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-9-16-15-17-11(2)10-13(19-15)14(20)18-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3,(H,18,20)(H,16,17,19).
What are the key properties of 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).