2-cyclopentyloxypyrimidine-5-carboxylic acid

C10H12N2O3 — CID 25116525

IUPAC2-cyclopentyloxypyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCCC2)nc1
InChIInChI=1S/C10H12N2O3/c13-9(14)7-5-11-10(12-6-7)15-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14)
InChIKeyGPKDHSFGOCKTSK-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.50
Rot. Bonds3

About 2-cyclopentyloxypyrimidine-5-carboxylic acid

2-cyclopentyloxypyrimidine-5-carboxylic acid (PubChem CID 25116525) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopentyloxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyloxypyrimidine-5-carboxylic acid
PubChem CID25116525
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-cyclopentyloxypyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCCC2)nc1
InChIInChI=1S/C10H12N2O3/c13-9(14)7-5-11-10(12-6-7)15-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14)
InChIKeyGPKDHSFGOCKTSK-UHFFFAOYSA-N
XLogP1.50
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxypyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopentyloxypyrimidine-5-carboxylic acid (CID 25116525) is 2-cyclopentyloxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyloxypyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyloxypyrimidine-5-carboxylic acid is O=C(O)c1cnc(OC2CCCC2)nc1.
What is the InChIKey of 2-cyclopentyloxypyrimidine-5-carboxylic acid?
The InChIKey is GPKDHSFGOCKTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9(14)7-5-11-10(12-6-7)15-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14).
What are the key properties of 2-cyclopentyloxypyrimidine-5-carboxylic acid?
2-cyclopentyloxypyrimidine-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 25116525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).