2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid

C9H12N2O3 — CID 131346163

IUPAC2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCCc1ncn(CC(=O)O)c(=O)c1C
InChIInChI=1S/C9H12N2O3/c1-3-7-6(2)9(14)11(5-10-7)4-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeySZOABQNRZMVZNT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.20
Rot. Bonds3

About 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid

2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 131346163) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID131346163
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCCc1ncn(CC(=O)O)c(=O)c1C
InChIInChI=1S/C9H12N2O3/c1-3-7-6(2)9(14)11(5-10-7)4-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeySZOABQNRZMVZNT-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-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-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid (CID 131346163) is 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid is CCc1ncn(CC(=O)O)c(=O)c1C.
What is the InChIKey of 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is SZOABQNRZMVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-7-6(2)9(14)11(5-10-7)4-8(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid?
2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 131346163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).