2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide

C17H16F3N3O3 — CID 137126245

IUPAC2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CCC2)cc(=O)[nH]1
InChIInChI=1S/C17H16F3N3O3/c1-10-21-13(9-14(24)22-10)15(25)23-16(7-2-8-16)11-3-5-12(6-4-11)26-17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyNVNFAHGLGFPVGM-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.79
Rot. Bonds4

About 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide

2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide (PubChem CID 137126245) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
PubChem CID137126245
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CCC2)cc(=O)[nH]1
InChIInChI=1S/C17H16F3N3O3/c1-10-21-13(9-14(24)22-10)15(25)23-16(7-2-8-16)11-3-5-12(6-4-11)26-17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyNVNFAHGLGFPVGM-UHFFFAOYSA-N
XLogP2.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982598
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 144874262
N-[1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982698
2-cyclopropyl-6-oxo-N-[1-[4-(trifluoromethylsulfanyl)phenyl]cyclopropyl]-1H-pyrimidine-4-carboxamide
CID 136982835
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 137126133
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685365
2-methoxy-N-[2-methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045845
6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 137126229
ethyl 2-[[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]amino]pyrimidine-5-carboxylate;propyl 2-chloropyrimidine-5-carboxylate
CID 145295771
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
CID 134332225
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide (CID 137126245) is 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is NVNFAHGLGFPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-10-21-13(9-14(24)22-10)15(25)23-16(7-2-8-16)11-3-5-12(6-4-11)26-17(18,19)20/h3-6,9H,2,7-8H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide?
2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137126245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).