6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one

C8H8Cl2N2O — CID 106439751

IUPAC6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H8Cl2N2O/c1-6(3-9)4-12-5-11-7(10)2-8(12)13/h2-3,5H,4H2,1H3
InChIKeyMCZGHPIYHCHIPE-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.04
Rot. Bonds2

About 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one

6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one (PubChem CID 106439751) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
PubChem CID106439751
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H8Cl2N2O/c1-6(3-9)4-12-5-11-7(10)2-8(12)13/h2-3,5H,4H2,1H3
InChIKeyMCZGHPIYHCHIPE-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(3-chloro-2-methylprop-2-enyl)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

Related Compounds

3-(3-Chloropropyl)-6-methylpyrimidin-4-one
CID 61224365
3-(3-Chloro-2-methylpropyl)-6-methylpyrimidin-4-one
CID 64232712
3-(3-Chloro-2-methylpropyl)pyrimidin-4-one
CID 64232937
3-[(E)-4-chlorobut-2-enyl]pyrimidin-4-one
CID 64682507
3-(4-Chlorobut-2-enyl)-6-methylpyrimidin-4-one
CID 77051704
3-(4-Chlorobut-2-enyl)pyrimidin-4-one
CID 77051708
3-[2-(Chloromethyl)prop-2-enyl]-6-methylpyrimidin-4-one
CID 103065732
3-[2-(Chloromethyl)prop-2-enyl]pyrimidin-4-one
CID 103065785
6-Chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
CID 104939631
6-Chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one
CID 104939633
6-Chloro-3-(2,3-dichloroprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
CID 104939634
3-[(Z)-3-chloro-2-methylprop-2-enyl]-5-iodopyrimidin-4-one
CID 106439730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one (CID 106439751) is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one is CC(=CCl)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The InChIKey is MCZGHPIYHCHIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-6(3-9)4-12-5-11-7(10)2-8(12)13/h2-3,5H,4H2,1H3.
What are the key properties of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one has a molecular weight of 219.07 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 106439751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).