2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid

C12H16N2O3 — CID 83852625

IUPAC2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ccnc(=O)n1C1CCCCC1
InChIInChI=1S/C12H16N2O3/c15-11(16)8-10-6-7-13-12(17)14(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyCOYMLESGBGEAMF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.38
Rot. Bonds3

About 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid

2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852625) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852625
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ccnc(=O)n1C1CCCCC1
InChIInChI=1S/C12H16N2O3/c15-11(16)8-10-6-7-13-12(17)14(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyCOYMLESGBGEAMF-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclohexyl-2-oxopyrimidin-4-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-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(3-Cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852012
2-(2-Oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852047
2-(3-Cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852184
2-[3-(2-Methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852234
2-(3-Cyclopentyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852410

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852625) is 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid is O=C(O)Cc1ccnc(=O)n1C1CCCCC1.
What is the InChIKey of 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is COYMLESGBGEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(16)8-10-6-7-13-12(17)14(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,16).
What are the key properties of 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid?
2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).