6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one

C12H17ClN2O2 — CID 106455831

IUPAC6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C12H17ClN2O2/c1-2-6-17-7-5-15-11(16)8-10(13)14-12(15)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyXLEPZRACOVJGJS-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.20
Rot. Bonds6

About 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one (PubChem CID 106455831) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one
PubChem CID106455831
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C12H17ClN2O2/c1-2-6-17-7-5-15-11(16)8-10(13)14-12(15)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyXLEPZRACOVJGJS-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-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 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one (CID 106455831) is 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one is CCCOCCn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one?
The InChIKey is XLEPZRACOVJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-6-17-7-5-15-11(16)8-10(13)14-12(15)9-3-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one has a molecular weight of 256.73 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 106455831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).