3-(2-butoxyethyl)-6-chloropyrimidin-4-one

C10H15ClN2O2 — CID 114582047

IUPAC3-(2-butoxyethyl)-6-chloropyrimidin-4-one
SMILESCCCCOCCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O2/c1-2-3-5-15-6-4-13-8-12-9(11)7-10(13)14/h7-8H,2-6H2,1H3
InChIKeyCWAPWPLOMWVQOR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.71
Rot. Bonds6

About 3-(2-butoxyethyl)-6-chloropyrimidin-4-one

3-(2-butoxyethyl)-6-chloropyrimidin-4-one (PubChem CID 114582047) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-6-chloropyrimidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-6-chloropyrimidin-4-one
PubChem CID114582047
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-(2-butoxyethyl)-6-chloropyrimidin-4-one
SMILESCCCCOCCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O2/c1-2-3-5-15-6-4-13-8-12-9(11)7-10(13)14/h7-8H,2-6H2,1H3
InChIKeyCWAPWPLOMWVQOR-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-butoxyethyl)-6-chloropyrimidin-4-one 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 3-(2-butoxyethyl)-6-chloropyrimidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-6-chloropyrimidin-4-one (CID 114582047) is 3-(2-butoxyethyl)-6-chloropyrimidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-6-chloropyrimidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-6-chloropyrimidin-4-one is CCCCOCCn1cnc(Cl)cc1=O.
What is the InChIKey of 3-(2-butoxyethyl)-6-chloropyrimidin-4-one?
The InChIKey is CWAPWPLOMWVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-2-3-5-15-6-4-13-8-12-9(11)7-10(13)14/h7-8H,2-6H2,1H3.
What are the key properties of 3-(2-butoxyethyl)-6-chloropyrimidin-4-one?
3-(2-butoxyethyl)-6-chloropyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-6-chloropyrimidin-4-one is sourced from PubChem (CID 114582047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).