2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid

C10H12N2O3 — CID 62022656

IUPAC2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C10H12N2O3/c13-9-7(10(14)15)5-11-8(12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyTWCPFCYOXBNTND-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.13
Rot. Bonds2

About 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid

2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 62022656) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID62022656
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C10H12N2O3/c13-9-7(10(14)15)5-11-8(12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyTWCPFCYOXBNTND-UHFFFAOYSA-N
XLogP1.13
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 62022656) is 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2CCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is TWCPFCYOXBNTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9-7(10(14)15)5-11-8(12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62022656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).