5,6-dichloro-3-propylpyrimidin-4-one

C7H8Cl2N2O — CID 114583261

IUPAC5,6-dichloro-3-propylpyrimidin-4-one
SMILESCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3
InChIKeyFEYQPDDMDKMDEJ-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.96
Rot. Bonds2

About 5,6-dichloro-3-propylpyrimidin-4-one

5,6-dichloro-3-propylpyrimidin-4-one (PubChem CID 114583261) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 5,6-dichloro-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-propylpyrimidin-4-one
PubChem CID114583261
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name5,6-dichloro-3-propylpyrimidin-4-one
SMILESCCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3
InChIKeyFEYQPDDMDKMDEJ-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-3-propylpyrimidin-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-propylpyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-propylpyrimidin-4-one (CID 114583261) is 5,6-dichloro-3-propylpyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-propylpyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-propylpyrimidin-4-one is CCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-propylpyrimidin-4-one?
The InChIKey is FEYQPDDMDKMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3.
What are the key properties of 5,6-dichloro-3-propylpyrimidin-4-one?
5,6-dichloro-3-propylpyrimidin-4-one has a molecular weight of 207.06 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-propylpyrimidin-4-one is sourced from PubChem (CID 114583261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).