5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one

C11H9ClN2O — CID 117260757

IUPAC5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O/c1-7-13-6-9(11(15)14-7)8-4-2-3-5-10(8)12/h2-6H,1H3,(H,13,14,15)
InChIKeyUBUSQBKBDLBEKL-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.40
Rot. Bonds1

About 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one

5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 117260757) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID117260757
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C11H9ClN2O/c1-7-13-6-9(11(15)14-7)8-4-2-3-5-10(8)12/h2-6H,1H3,(H,13,14,15)
InChIKeyUBUSQBKBDLBEKL-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one (CID 117260757) is 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one is Cc1ncc(-c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UBUSQBKBDLBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-13-6-9(11(15)14-7)8-4-2-3-5-10(8)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one?
5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 220.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 117260757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).