4-cyclopentyloxy-1H-pyrimidin-6-one

C9H12N2O2 — CID 103240528

IUPAC4-cyclopentyloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCC2)nc[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-5-9(11-6-10-8)13-7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyKYSZKCSBVDVQGC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds2

About 4-cyclopentyloxy-1H-pyrimidin-6-one

4-cyclopentyloxy-1H-pyrimidin-6-one (PubChem CID 103240528) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-cyclopentyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyloxy-1H-pyrimidin-6-one
PubChem CID103240528
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-cyclopentyloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCC2)nc[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-5-9(11-6-10-8)13-7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyKYSZKCSBVDVQGC-UHFFFAOYSA-N
XLogP1.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyloxy-1H-pyrimidin-6-one 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-ethoxypyrimidin-4(1H)-one
CID 45080261
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-cyclopropyloxy-1H-pyrimidin-6-one
CID 178112215
4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240416
4-heptoxy-1H-pyrimidin-6-one
CID 103240427
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
4-hexoxy-1H-pyrimidin-6-one
CID 103240497
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
4-cyclohexyloxy-1H-pyrimidin-6-one
CID 103240539
4-propan-2-yloxy-1H-pyrimidin-6-one
CID 103240689
4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
CID 103240696
4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240710

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyloxy-1H-pyrimidin-6-one (CID 103240528) is 4-cyclopentyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyloxy-1H-pyrimidin-6-one is O=c1cc(OC2CCCC2)nc[nH]1.
What is the InChIKey of 4-cyclopentyloxy-1H-pyrimidin-6-one?
The InChIKey is KYSZKCSBVDVQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-5-9(11-6-10-8)13-7-3-1-2-4-7/h5-7H,1-4H2,(H,10,11,12).
What are the key properties of 4-cyclopentyloxy-1H-pyrimidin-6-one?
4-cyclopentyloxy-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).