6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C20H17F3N4O — CID 109335176

IUPAC6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H17F3N4O/c1-12-3-7-15(8-4-12)25-18(28)17-11-13(2)24-19(27-17)26-16-9-5-14(6-10-16)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyKLPSWHGHBLXVCP-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.11
Rot. Bonds4

About 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109335176) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109335176
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H17F3N4O/c1-12-3-7-15(8-4-12)25-18(28)17-11-13(2)24-19(27-17)26-16-9-5-14(6-10-16)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyKLPSWHGHBLXVCP-UHFFFAOYSA-N
XLogP5.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
methyl 4-[[6-methyl-2-(4-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109335103
methyl 4-[[4-methyl-6-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109335183
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109335176) is 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is KLPSWHGHBLXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-3-7-15(8-4-12)25-18(28)17-11-13(2)24-19(27-17)26-16-9-5-14(6-10-16)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylphenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109335176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).