2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C20H17F3N4O — CID 112848302

IUPAC2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3ccccc3C(F)(F)F)nc(C)n2)c1
InChIInChI=1S/C20H17F3N4O/c1-12-6-5-7-14(10-12)26-19(28)17-11-18(25-13(2)24-17)27-16-9-4-3-8-15(16)20(21,22)23/h3-11H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyQUSWQOMFKUYHAM-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.11
Rot. Bonds4

About 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 112848302) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID112848302
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3ccccc3C(F)(F)F)nc(C)n2)c1
InChIInChI=1S/C20H17F3N4O/c1-12-6-5-7-14(10-12)26-19(28)17-11-18(25-13(2)24-17)27-16-9-4-3-8-15(16)20(21,22)23/h3-11H,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyQUSWQOMFKUYHAM-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

N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109360904
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
(4-methylpiperazin-1-yl)-[2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109367119
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 112848302) is 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(Nc3ccccc3C(F)(F)F)nc(C)n2)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is QUSWQOMFKUYHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-6-5-7-14(10-12)26-19(28)17-11-18(25-13(2)24-17)27-16-9-4-3-8-15(16)20(21,22)23/h3-11H,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
2-methyl-N-(3-methylphenyl)-6-[2-(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 2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 112848302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).