2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide

C15H14F3N3O3 — CID 166262998

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O3/c1-7-5-9(3-4-11(7)15(16,17)18)20-12(22)6-10-8(2)19-14(24)21-13(10)23/h3-5H,6H2,1-2H3,(H,20,22)(H2,19,21,23,24)
InChIKeyJCZAXHISYXXBAK-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.88
Rot. Bonds3

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 166262998) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
PubChem CID166262998
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1C(F)(F)F
InChIInChI=1S/C15H14F3N3O3/c1-7-5-9(3-4-11(7)15(16,17)18)20-12(22)6-10-8(2)19-14(24)21-13(10)23/h3-5H,6H2,1-2H3,(H,20,22)(H2,19,21,23,24)
InChIKeyJCZAXHISYXXBAK-UHFFFAOYSA-N
XLogP1.88
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 122141465
5-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]pyridine-2-carboxamide
CID 167992782
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 60541350
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930
N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 154858210
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 55382076
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
2-(4-ethoxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 24583920
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
CID 63654718
N-(4-bromo-3-methylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136616326
N-[3-methyl-4-(trifluoromethyl)phenyl]formamide
CID 142387877

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide (CID 166262998) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide is Cc1cc(NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1C(F)(F)F.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JCZAXHISYXXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-7-5-9(3-4-11(7)15(16,17)18)20-12(22)6-10-8(2)19-14(24)21-13(10)23/h3-5H,6H2,1-2H3,(H,20,22)(H2,19,21,23,24).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166262998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).