4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

C11H11N3O — CID 135741704

IUPAC4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C11H11N3O/c1-7-4-3-5-9(12-7)11-13-8(2)6-10(15)14-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyJZIQCPDKFNLWKT-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.45
Rot. Bonds1

About 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 135741704) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID135741704
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C11H11N3O/c1-7-4-3-5-9(12-7)11-13-8(2)6-10(15)14-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyJZIQCPDKFNLWKT-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one (CID 135741704) is 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one is Cc1cccc(-c2nc(C)cc(=O)[nH]2)n1.
What is the InChIKey of 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is JZIQCPDKFNLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-4-3-5-9(12-7)11-13-8(2)6-10(15)14-11/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135741704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).