4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C19H14F3N3O — CID 53080350

IUPAC4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3O/c1-12-14(11-23-17(24-12)13-7-3-2-4-8-13)18(26)25-16-10-6-5-9-15(16)19(20,21)22/h2-11H,1H3,(H,25,26)
InChIKeyJWDJQJDXIFTIFG-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.72
Rot. Bonds3

About 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 53080350) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID53080350
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3O/c1-12-14(11-23-17(24-12)13-7-3-2-4-8-13)18(26)25-16-10-6-5-9-15(16)19(20,21)22/h2-11H,1H3,(H,25,26)
InChIKeyJWDJQJDXIFTIFG-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080271
2,5-dimethyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4974601
N-(2-tert-butylphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110858381
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 1093212
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
CID 71848765
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 53080350) is 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is JWDJQJDXIFTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-12-14(11-23-17(24-12)13-7-3-2-4-8-13)18(26)25-16-10-6-5-9-15(16)19(20,21)22/h2-11H,1H3,(H,25,26).
What are the key properties of 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 53080350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).