5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one

C10H13ClN2O2 — CID 106203679

IUPAC5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCC2)c1Cl
InChIInChI=1S/C10H13ClN2O2/c11-8-9(14)12-6-13-10(8)15-5-4-7-2-1-3-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyTYVSGCAQVZYGSC-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one

5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one (PubChem CID 106203679) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
PubChem CID106203679
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCC2)c1Cl
InChIInChI=1S/C10H13ClN2O2/c11-8-9(14)12-6-13-10(8)15-5-4-7-2-1-3-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyTYVSGCAQVZYGSC-UHFFFAOYSA-N
XLogP1.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(2-cyclobutylethoxy)-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-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
5-bromo-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106203687
4-(2-cyclobutylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203691
5-amino-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106207972
4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106207977
5-chloro-4-hexoxy-1H-pyrimidin-6-one
CID 114675877
5-chloro-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 114675898
5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 114676077
5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 114676085
5-chloro-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 114676091
5-chloro-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 114676114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one (CID 106203679) is 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
The InChIKey is TYVSGCAQVZYGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-9(14)12-6-13-10(8)15-5-4-7-2-1-3-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one has a molecular weight of 228.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106203679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).