2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid

C11H14N2O3 — CID 83822786

IUPAC2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(C2CCCC2)n1
InChIInChI=1S/C11H14N2O3/c1-16-9-6-8(11(14)15)12-10(13-9)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyJFGPVSFZHWOYRD-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.84
Rot. Bonds3

About 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid

2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid (PubChem CID 83822786) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid
PubChem CID83822786
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(C2CCCC2)n1
InChIInChI=1S/C11H14N2O3/c1-16-9-6-8(11(14)15)12-10(13-9)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyJFGPVSFZHWOYRD-UHFFFAOYSA-N
XLogP1.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic 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

6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
CID 116862342
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
CID 83883634
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183
6-cyclohexyl-2-methylpyrimidine-4-carboxylic acid
CID 83822396
2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid
CID 121206900
2-cyclopentyloxy-6-methylpyrimidine-4-carboxylic acid
CID 107554645
5-cyclopentyl-6-methoxypyridazine-3-carboxylic acid;hydrochloride
CID 66592532
2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 82458345
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
CID 121206911
2-cyclopropyl-4-methoxy-6-propan-2-ylpyrimidine
CID 139361220

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid (CID 83822786) is 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid is COc1cc(C(=O)O)nc(C2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid?
The InChIKey is JFGPVSFZHWOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-9-6-8(11(14)15)12-10(13-9)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid?
2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 83822786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).