5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

C10H12Cl2N2O2 — CID 114583161

IUPAC5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCC1CCCO1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)4-3-7-2-1-5-16-7/h6-7H,1-5H2
InChIKeyUGGKIJVQYOXUJS-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.12
Rot. Bonds3

About 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (PubChem CID 114583161) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
PubChem CID114583161
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCC1CCCO1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)4-3-7-2-1-5-16-7/h6-7H,1-5H2
InChIKeyUGGKIJVQYOXUJS-UHFFFAOYSA-N
XLogP2.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]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 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (CID 114583161) is 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCC1CCCO1.
What is the InChIKey of 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is UGGKIJVQYOXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c11-8-9(12)13-6-14(10(8)15)4-3-7-2-1-5-16-7/h6-7H,1-5H2.
What are the key properties of 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 263.12 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).