2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid

C14H11F3N2O3 — CID 95916125

IUPAC2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H11F3N2O3/c1-8-6-11(20)19(7-12(21)22)13(18-8)9-2-4-10(5-3-9)14(15,16)17/h2-6H,7H2,1H3,(H,21,22)
InChIKeyFUZLCGMVLNGYTA-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.32
Rot. Bonds3

About 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid

2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid (PubChem CID 95916125) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid
PubChem CID95916125
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H11F3N2O3/c1-8-6-11(20)19(7-12(21)22)13(18-8)9-2-4-10(5-3-9)14(15,16)17/h2-6H,7H2,1H3,(H,21,22)
InChIKeyFUZLCGMVLNGYTA-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxopropyl)-2-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-one;2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid
CID 160791840
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid
CID 69290578
1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 102596732
2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 51368875
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66042627
3-(2-oxopropyl)-2-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 129197985
N-(3,5-dichlorophenyl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 50927002
2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 50926989

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid (CID 95916125) is 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid is Cc1cc(=O)n(CC(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid?
The InChIKey is FUZLCGMVLNGYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-8-6-11(20)19(7-12(21)22)13(18-8)9-2-4-10(5-3-9)14(15,16)17/h2-6H,7H2,1H3,(H,21,22).
What are the key properties of 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid?
2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid has a molecular weight of 312.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid is sourced from PubChem (CID 95916125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).