N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C19H15F3N4O2 — CID 109269412

IUPACN-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H15F3N4O2/c1-28-16-8-3-2-7-15(16)26-17(27)12-10-23-18(24-11-12)25-14-6-4-5-13(9-14)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25)
InChIKeyXVARZLASUMEOPV-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.50
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109269412) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109269412
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H15F3N4O2/c1-28-16-8-3-2-7-15(16)26-17(27)12-10-23-18(24-11-12)25-14-6-4-5-13(9-14)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25)
InChIKeyXVARZLASUMEOPV-UHFFFAOYSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide
CID 53316547
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109265216
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109269412) is N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is XVARZLASUMEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-16-8-3-2-7-15(16)26-17(27)12-10-23-18(24-11-12)25-14-6-4-5-13(9-14)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109269412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).