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

C9H11ClN2O2 — CID 114675901

IUPAC5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCCC2)c1Cl
InChIInChI=1S/C9H11ClN2O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyJXYXXUTUOAVSAP-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.74
Rot. Bonds2

About 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one

5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one (PubChem CID 114675901) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one
PubChem CID114675901
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCCC2)c1Cl
InChIInChI=1S/C9H11ClN2O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyJXYXXUTUOAVSAP-UHFFFAOYSA-N
XLogP1.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-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

5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240528
5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
5-chloro-4-(1-ethoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103489522
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586562
4-(2-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586588
5-chloro-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 114675862
5-chloro-4-hexoxy-1H-pyrimidin-6-one
CID 114675877
5-chloro-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one (CID 114675901) is 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one?
The InChIKey is JXYXXUTUOAVSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one?
5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one has a molecular weight of 214.65 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114675901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).