1-cyclopentylpyrimidine-2,4-dione

C9H12N2O2 — CID 10058121

IUPAC1-cyclopentylpyrimidine-2,4-dione
SMILESO=c1ccn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-5-6-11(9(13)10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,12,13)
InChIKeyOZKLJGHFJCKYKI-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.65
Rot. Bonds1

About 1-cyclopentylpyrimidine-2,4-dione

1-cyclopentylpyrimidine-2,4-dione (PubChem CID 10058121) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-cyclopentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopentylpyrimidine-2,4-dione
PubChem CID10058121
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-cyclopentylpyrimidine-2,4-dione
SMILESO=c1ccn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-5-6-11(9(13)10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,12,13)
InChIKeyOZKLJGHFJCKYKI-UHFFFAOYSA-N
XLogP0.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrimidine-2,4-dione?
The IUPAC name of 1-cyclopentylpyrimidine-2,4-dione (CID 10058121) is 1-cyclopentylpyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopentylpyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopentylpyrimidine-2,4-dione is O=c1ccn(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentylpyrimidine-2,4-dione?
The InChIKey is OZKLJGHFJCKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-5-6-11(9(13)10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,12,13).
What are the key properties of 1-cyclopentylpyrimidine-2,4-dione?
1-cyclopentylpyrimidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrimidine-2,4-dione is sourced from PubChem (CID 10058121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).