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

C11H12Cl2N2O — CID 106439757

IUPAC6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one
SMILESCC(=CCl)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H12Cl2N2O/c1-7(5-12)6-15-10(16)4-9(13)14-11(15)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyFXYHUDFGBPWBOP-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.92
Rot. Bonds3

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

6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one (PubChem CID 106439757) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one
PubChem CID106439757
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one
SMILESCC(=CCl)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C11H12Cl2N2O/c1-7(5-12)6-15-10(16)4-9(13)14-11(15)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyFXYHUDFGBPWBOP-UHFFFAOYSA-N
XLogP2.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one (CID 106439757) is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one is CC(=CCl)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one?
The InChIKey is FXYHUDFGBPWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7(5-12)6-15-10(16)4-9(13)14-11(15)8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one?
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-cyclopropylpyrimidin-4-one has a molecular weight of 259.14 g/mol, XLogP of 2.92, 3 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-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 106439757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).