2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid

C15H16N2O3 — CID 62095350

IUPAC2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid
SMILESCc1nc(=O)n(-c2ccccc2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-9(14(18)19)13-10(2)16-15(20)17(11(13)3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,19)
InChIKeyKABKUOWELWAWOP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.04
Rot. Bonds3

About 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid

2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid (PubChem CID 62095350) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid
PubChem CID62095350
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid
SMILESCc1nc(=O)n(-c2ccccc2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H16N2O3/c1-9(14(18)19)13-10(2)16-15(20)17(11(13)3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,19)
InChIKeyKABKUOWELWAWOP-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid (CID 62095350) is 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid is Cc1nc(=O)n(-c2ccccc2)c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid?
The InChIKey is KABKUOWELWAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(14(18)19)13-10(2)16-15(20)17(11(13)3)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid?
2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 62095350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).