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

C9H10Cl2N2O — CID 106439750

IUPAC6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one
SMILESCC(=CCl)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H10Cl2N2O/c1-6(4-10)5-13-7(2)12-8(11)3-9(13)14/h3-4H,5H2,1-2H3
InChIKeyZKYZYJAFJOZEDP-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.35
Rot. Bonds2

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

6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one (PubChem CID 106439750) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one
PubChem CID106439750
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one
SMILESCC(=CCl)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H10Cl2N2O/c1-6(4-10)5-13-7(2)12-8(11)3-9(13)14/h3-4H,5H2,1-2H3
InChIKeyZKYZYJAFJOZEDP-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391
6-Chloro-2-ethyl-3-(3-fluoropropyl)pyrimidin-4-one
CID 114584452
6-Chloro-3-(2-fluoroethyl)-2-propan-2-ylpyrimidin-4-one
CID 114585003
6-Chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
CID 114585057
6-chloro-2,5-dimethyl-3-ethyl-4(3H)-pyrimidinone
CID 15058927
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
6-Chloro-2-(chloromethyl)-3-methylpyrimidin-4-one
CID 55298019
3-(3-Chloropropyl)-2,6-dimethylpyrimidin-4-one
CID 63768115
3-(2-Chloroethyl)-2,6-dimethylpyrimidin-4-one
CID 63768117

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one (CID 106439750) is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one is CC(=CCl)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one?
The InChIKey is ZKYZYJAFJOZEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-6(4-10)5-13-7(2)12-8(11)3-9(13)14/h3-4H,5H2,1-2H3.
What are the key properties of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-methylpyrimidin-4-one has a molecular weight of 233.10 g/mol, XLogP of 2.35, 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)-2-methylpyrimidin-4-one is sourced from PubChem (CID 106439750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).