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

C16H15F3N4O — CID 109320171

IUPAC6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N4O/c1-3-8-20-15-21-10(2)9-13(23-15)14(24)22-12-6-4-11(5-7-12)16(17,18)19/h3-7,9H,1,8H2,2H3,(H,22,24)(H,20,21,23)
InChIKeyUQPGCGZAHGRTLT-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.65
Rot. Bonds5

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

6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109320171) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109320171
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N4O/c1-3-8-20-15-21-10(2)9-13(23-15)14(24)22-12-6-4-11(5-7-12)16(17,18)19/h3-7,9H,1,8H2,2H3,(H,22,24)(H,20,21,23)
InChIKeyUQPGCGZAHGRTLT-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.65
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

6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128
2-[3-(dimethylamino)propylamino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109325516
6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109335176
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320184
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
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109320171) is 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is C=CCNc1nc(C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is UQPGCGZAHGRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-3-8-20-15-21-10(2)9-13(23-15)14(24)22-12-6-4-11(5-7-12)16(17,18)19/h3-7,9H,1,8H2,2H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109320171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).