2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid

C8H10N2O3 — CID 83851905

IUPAC2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESCCc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-2-5-3-6(4-7(11)12)10-8(13)9-5/h3H,2,4H2,1H3,(H,11,12)(H,9,10,13)
InChIKeyPYBYJZXNYFBZRW-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.04
Rot. Bonds3

About 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid

2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83851905) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83851905
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESCCc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-2-5-3-6(4-7(11)12)10-8(13)9-5/h3H,2,4H2,1H3,(H,11,12)(H,9,10,13)
InChIKeyPYBYJZXNYFBZRW-UHFFFAOYSA-N
XLogP-0.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-2-oxo-1H-pyrimidin-6-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

Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-Methyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 28799510
2-(7-fluoro-2-oxo-3H-quinazolin-4-yl)propanoic acid
CID 105497442
2-(6-fluoro-2-oxo-3H-quinazolin-4-yl)propanoic acid
CID 105497444
6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid
CID 25801801
methyl 2-[4-(2-methoxy-2-oxoethyl)-2-oxo-1H-pyrimidin-6-yl]acetate
CID 102454339
2-(2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 21113461
2-(2-oxo-3H-quinazolin-4-yl)acetic acid
CID 54517804
(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 67469247
3-Oxo-4-aza-2-azoniabicyclo[3.3.1]nona-1,5(9),7-triene-6-carboxylic acid
CID 123412717
(2E)-2-ethylidene-6-methyl-1H-pyrimidine-4-carboxylic acid;methanimine
CID 143680223
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 83851905) is 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid is CCc1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is PYBYJZXNYFBZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-5-3-6(4-7(11)12)10-8(13)9-5/h3H,2,4H2,1H3,(H,11,12)(H,9,10,13).
What are the key properties of 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83851905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).