5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one

C12H14N4O — CID 164627287

IUPAC5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCN(C)c1nccc(-c2ccc(=O)n(C)c2)n1
InChIInChI=1S/C12H14N4O/c1-15(2)12-13-7-6-10(14-12)9-4-5-11(17)16(3)8-9/h4-8H,1-3H3
InChIKeyPQBQKVXKGINKRJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.91
Rot. Bonds2

About 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one

5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one (PubChem CID 164627287) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one
PubChem CID164627287
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCN(C)c1nccc(-c2ccc(=O)n(C)c2)n1
InChIInChI=1S/C12H14N4O/c1-15(2)12-13-7-6-10(14-12)9-4-5-11(17)16(3)8-9/h4-8H,1-3H3
InChIKeyPQBQKVXKGINKRJ-UHFFFAOYSA-N
XLogP0.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one (CID 164627287) is 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one is CN(C)c1nccc(-c2ccc(=O)n(C)c2)n1.
What is the InChIKey of 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is PQBQKVXKGINKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-15(2)12-13-7-6-10(14-12)9-4-5-11(17)16(3)8-9/h4-8H,1-3H3.
What are the key properties of 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one?
5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 164627287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).