3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one

C11H11N3O2 — CID 135334641

IUPAC3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
SMILESCOc1cc(-c2ccncn2)cn(C)c1=O
InChIInChI=1S/C11H11N3O2/c1-14-6-8(5-10(16-2)11(14)15)9-3-4-12-7-13-9/h3-7H,1-2H3
InChIKeyPORFFEGDXJWRFD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.85
Rot. Bonds2

About 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one

3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one (PubChem CID 135334641) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
PubChem CID135334641
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
SMILESCOc1cc(-c2ccncn2)cn(C)c1=O
InChIInChI=1S/C11H11N3O2/c1-14-6-8(5-10(16-2)11(14)15)9-3-4-12-7-13-9/h3-7H,1-2H3
InChIKeyPORFFEGDXJWRFD-UHFFFAOYSA-N
XLogP0.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one (CID 135334641) is 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one is COc1cc(-c2ccncn2)cn(C)c1=O.
What is the InChIKey of 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one?
The InChIKey is PORFFEGDXJWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-6-8(5-10(16-2)11(14)15)9-3-4-12-7-13-9/h3-7H,1-2H3.
What are the key properties of 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one?
3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one has a molecular weight of 217.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 135334641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).