4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine

C8H3Cl2FN2O — CID 80550226

IUPAC4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine
SMILESFc1c(Cl)nc(-c2ccoc2)nc1Cl
InChIInChI=1S/C8H3Cl2FN2O/c9-6-5(11)7(10)13-8(12-6)4-1-2-14-3-4/h1-3H
InChIKeyXSWBYSKVPQDJOS-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.18
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine (PubChem CID 80550226) has the molecular formula C8H3Cl2FN2O and a molecular weight of 233.03 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine
PubChem CID80550226
Molecular FormulaC8H3Cl2FN2O
Molecular Weight233.03 g/mol
Exact Mass231.96
IUPAC Name4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine
SMILESFc1c(Cl)nc(-c2ccoc2)nc1Cl
InChIInChI=1S/C8H3Cl2FN2O/c9-6-5(11)7(10)13-8(12-6)4-1-2-14-3-4/h1-3H
InChIKeyXSWBYSKVPQDJOS-UHFFFAOYSA-N
XLogP3.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine 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 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine (CID 80550226) is 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine is Fc1c(Cl)nc(-c2ccoc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine?
The InChIKey is XSWBYSKVPQDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2O/c9-6-5(11)7(10)13-8(12-6)4-1-2-14-3-4/h1-3H.
What are the key properties of 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine has a molecular weight of 233.03 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(furan-3-yl)pyrimidine is sourced from PubChem (CID 80550226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).