3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one

C11H8Cl2N2O — CID 3071128

IUPAC3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one
SMILESCc1nccc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-7-14-6-5-10(16)15(7)11-8(12)3-2-4-9(11)13/h2-6H,1H3
InChIKeyARBYLXMWTLDNTQ-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.85
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one

3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one (PubChem CID 3071128) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one
PubChem CID3071128
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one
SMILESCc1nccc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-7-14-6-5-10(16)15(7)11-8(12)3-2-4-9(11)13/h2-6H,1H3
InChIKeyARBYLXMWTLDNTQ-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one (CID 3071128) is 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one is Cc1nccc(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one?
The InChIKey is ARBYLXMWTLDNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-14-6-5-10(16)15(7)11-8(12)3-2-4-9(11)13/h2-6H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one?
3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one has a molecular weight of 255.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 3071128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).