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

C19H15F3N4O — CID 109356472

IUPACN-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ncn1)c1ccccc1
InChIInChI=1S/C19H15F3N4O/c1-26(15-8-3-2-4-9-15)18(27)16-11-17(24-12-23-16)25-14-7-5-6-13(10-14)19(20,21)22/h2-12H,1H3,(H,23,24,25)
InChIKeyZNFCSTTVXKVYBV-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.52
Rot. Bonds4

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

N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109356472) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109356472
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ncn1)c1ccccc1
InChIInChI=1S/C19H15F3N4O/c1-26(15-8-3-2-4-9-15)18(27)16-11-17(24-12-23-16)25-14-7-5-6-13(10-14)19(20,21)22/h2-12H,1H3,(H,23,24,25)
InChIKeyZNFCSTTVXKVYBV-UHFFFAOYSA-N
XLogP4.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
N-[(3-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347230
2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109356630
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109356472) is N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is CN(C(=O)c1cc(Nc2cccc(C(F)(F)F)c2)ncn1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is ZNFCSTTVXKVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-26(15-8-3-2-4-9-15)18(27)16-11-17(24-12-23-16)25-14-7-5-6-13(10-14)19(20,21)22/h2-12H,1H3,(H,23,24,25).
What are the key properties of N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109356472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).