6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid

C14H14N2O3 — CID 116865013

IUPAC6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
SMILESCc1cc(C)c(-c2ncc(C(=O)O)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H14N2O3/c1-7-4-9(3)10(5-8(7)2)12-15-6-11(14(18)19)13(17)16-12/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyJHLXTEXTLNOBID-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.06
Rot. Bonds2

About 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid

6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 116865013) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID116865013
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
SMILESCc1cc(C)c(-c2ncc(C(=O)O)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H14N2O3/c1-7-4-9(3)10(5-8(7)2)12-15-6-11(14(18)19)13(17)16-12/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyJHLXTEXTLNOBID-UHFFFAOYSA-N
XLogP2.06
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dihydro-6-oxo-2-phenyl-5-pyrimidinecarboxylic acid
CID 817776
2-(2-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535837
6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid
CID 12535858
6-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid
CID 12535854
1-Methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid
CID 12535878
2-(4-Fluorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 28665110
2-(3-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021692
2-Benzyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 17609312
(Z)-3-[2-(4-methylphenyl)-6-oxo-1H-pyrimidin-5-yl]prop-2-enoic acid
CID 134914786
2-(3,4-Difluorophenyl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
CID 56829004
2-(3-fluoro-4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62020000
2-(3,5-difluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62020560

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid (CID 116865013) is 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid is Cc1cc(C)c(-c2ncc(C(=O)O)c(=O)[nH]2)cc1C.
What is the InChIKey of 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is JHLXTEXTLNOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-7-4-9(3)10(5-8(7)2)12-15-6-11(14(18)19)13(17)16-12/h4-6H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116865013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).