2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid

C13H12N2O3 — CID 135436001

IUPAC2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C13H12N2O3/c1-8-10(7-11(16)17)13(18)15-12(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyBEJFMSFRYZHYHL-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid

2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid (PubChem CID 135436001) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid
PubChem CID135436001
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C13H12N2O3/c1-8-10(7-11(16)17)13(18)15-12(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyBEJFMSFRYZHYHL-UHFFFAOYSA-N
XLogP1.37
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid (CID 135436001) is 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid is Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is BEJFMSFRYZHYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-10(7-11(16)17)13(18)15-12(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid?
2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 135436001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).