3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one

C9H10Cl2N2O2 — CID 79376303

IUPAC3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C9H10Cl2N2O2/c1-6-3-8(14)13(5-7(11)4-10)9(12-6)15-2/h3-4H,5H2,1-2H3
InChIKeyVJNMUIRYSUZENG-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.88
Rot. Bonds3

About 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one

3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79376303) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79376303
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC(Cl)=CCl
InChIInChI=1S/C9H10Cl2N2O2/c1-6-3-8(14)13(5-7(11)4-10)9(12-6)15-2/h3-4H,5H2,1-2H3
InChIKeyVJNMUIRYSUZENG-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one (CID 79376303) is 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CC(Cl)=CCl.
What is the InChIKey of 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is VJNMUIRYSUZENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-6-3-8(14)13(5-7(11)4-10)9(12-6)15-2/h3-4H,5H2,1-2H3.
What are the key properties of 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 249.10 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79376303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).