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

C14H12F3N3O3 — CID 144874262

IUPAC2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H12F3N3O3/c1-8-19-11(6-12(21)20-8)13(22)18-7-9-2-4-10(5-3-9)23-14(15,16)17/h2-6H,7H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyBSDCPJHDXWZJBX-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.91
Rot. Bonds4

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

2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide (PubChem CID 144874262) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
PubChem CID144874262
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C14H12F3N3O3/c1-8-19-11(6-12(21)20-8)13(22)18-7-9-2-4-10(5-3-9)23-14(15,16)17/h2-6H,7H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyBSDCPJHDXWZJBX-UHFFFAOYSA-N
XLogP1.91
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834550
2-methyl-6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-1H-pyrimidine-4-carboxamide
CID 137126245
4-bromo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 37039903
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
3-[[[2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 136834562
N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782588
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide (CID 144874262) is 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is BSDCPJHDXWZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-8-19-11(6-12(21)20-8)13(22)18-7-9-2-4-10(5-3-9)23-14(15,16)17/h2-6H,7H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide?
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 1.91, 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-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 144874262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).