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

C7H8N2O4 — CID 105440930

IUPAC2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESCc1c(O)nc(CC(=O)O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-3-6(12)8-4(2-5(10)11)9-7(3)13/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyOSQBTHFHDOSNLU-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.59
Rot. Bonds2

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

2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid (PubChem CID 105440930) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
PubChem CID105440930
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESCc1c(O)nc(CC(=O)O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-3-6(12)8-4(2-5(10)11)9-7(3)13/h2H2,1H3,(H,10,11)(H2,8,9,12,13)
InChIKeyOSQBTHFHDOSNLU-UHFFFAOYSA-N
XLogP-0.59
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid (CID 105440930) is 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid is Cc1c(O)nc(CC(=O)O)[nH]c1=O.
What is the InChIKey of 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The InChIKey is OSQBTHFHDOSNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-6(12)8-4(2-5(10)11)9-7(3)13/h2H2,1H3,(H,10,11)(H2,8,9,12,13).
What are the key properties of 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 105440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).