6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C19H15F3N4O2 — CID 109358798

IUPAC6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3C(F)(F)F)ncn2)c1
InChIInChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)25-17-10-16(23-11-24-17)18(27)26-15-8-3-2-7-14(15)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25)
InChIKeyDBORPQMYAQZOJE-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.50
Rot. Bonds5

About 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109358798) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109358798
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3C(F)(F)F)ncn2)c1
InChIInChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)25-17-10-16(23-11-24-17)18(27)26-15-8-3-2-7-14(15)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25)
InChIKeyDBORPQMYAQZOJE-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

N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358063
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109358798) is 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccccc3C(F)(F)F)ncn2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is DBORPQMYAQZOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)25-17-10-16(23-11-24-17)18(27)26-15-8-3-2-7-14(15)19(20,21)22/h2-11H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-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 6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109358798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).