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

C12H13N3O — CID 136773443

IUPAC2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(C)cc(=O)[nH]2)cc(C)n1
InChIInChI=1S/C12H13N3O/c1-7-4-10(5-8(2)13-7)12-14-9(3)6-11(16)15-12/h4-6H,1-3H3,(H,14,15,16)
InChIKeyUYGBPPOUICQDLO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.76
Rot. Bonds1

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

2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136773443) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136773443
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(C)cc(=O)[nH]2)cc(C)n1
InChIInChI=1S/C12H13N3O/c1-7-4-10(5-8(2)13-7)12-14-9(3)6-11(16)15-12/h4-6H,1-3H3,(H,14,15,16)
InChIKeyUYGBPPOUICQDLO-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one (CID 136773443) is 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(-c2nc(C)cc(=O)[nH]2)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UYGBPPOUICQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-4-10(5-8(2)13-7)12-14-9(3)6-11(16)15-12/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one?
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).