5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one

C12H15N3O — CID 168925354

IUPAC5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one
SMILESCC1N=CC(c2ccc(=O)n(C)c2)=CN1C
InChIInChI=1S/C12H15N3O/c1-9-13-6-11(8-14(9)2)10-4-5-12(16)15(3)7-10/h4-9H,1-3H3
InChIKeyMWGFGAXBWJLKPU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.09
Rot. Bonds1

About 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one

5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one (PubChem CID 168925354) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one
PubChem CID168925354
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one
SMILESCC1N=CC(c2ccc(=O)n(C)c2)=CN1C
InChIInChI=1S/C12H15N3O/c1-9-13-6-11(8-14(9)2)10-4-5-12(16)15(3)7-10/h4-9H,1-3H3
InChIKeyMWGFGAXBWJLKPU-UHFFFAOYSA-N
XLogP1.09
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one (CID 168925354) is 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one is CC1N=CC(c2ccc(=O)n(C)c2)=CN1C.
What is the InChIKey of 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one?
The InChIKey is MWGFGAXBWJLKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-13-6-11(8-14(9)2)10-4-5-12(16)15(3)7-10/h4-9H,1-3H3.
What are the key properties of 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one?
5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethyl-2H-pyrimidin-5-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 168925354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).