N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide

C13H10F3N3O3 — CID 137147363

IUPACN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H10F3N3O3/c1-22-10-3-2-7(13(14,15)16)4-8(10)19-12(21)9-5-11(20)18-6-17-9/h2-6H,1H3,(H,19,21)(H,17,18,20)
InChIKeyMWGSQBVWWFQJNW-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.05
Rot. Bonds3

About N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137147363) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137147363
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H10F3N3O3/c1-22-10-3-2-7(13(14,15)16)4-8(10)19-12(21)9-5-11(20)18-6-17-9/h2-6H,1H3,(H,19,21)(H,17,18,20)
InChIKeyMWGSQBVWWFQJNW-UHFFFAOYSA-N
XLogP2.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112523286
6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136950368
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 171063040
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137147363) is N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is MWGSQBVWWFQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c1-22-10-3-2-7(13(14,15)16)4-8(10)19-12(21)9-5-11(20)18-6-17-9/h2-6H,1H3,(H,19,21)(H,17,18,20).
What are the key properties of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).