4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one

C13H16N4O — CID 80654427

IUPAC4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one
SMILESCNc1cc(C)nc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C13H16N4O/c1-9-4-5-17(13(18)6-9)8-12-15-10(2)7-11(14-3)16-12/h4-7H,8H2,1-3H3,(H,14,15,16)
InChIKeyYNNZKIQPSXEKKU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.35
Rot. Bonds3

About 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one

4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one (PubChem CID 80654427) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one
PubChem CID80654427
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one
SMILESCNc1cc(C)nc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C13H16N4O/c1-9-4-5-17(13(18)6-9)8-12-15-10(2)7-11(14-3)16-12/h4-7H,8H2,1-3H3,(H,14,15,16)
InChIKeyYNNZKIQPSXEKKU-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one (CID 80654427) is 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one is CNc1cc(C)nc(Cn2ccc(C)cc2=O)n1.
What is the InChIKey of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one?
The InChIKey is YNNZKIQPSXEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-5-17(13(18)6-9)8-12-15-10(2)7-11(14-3)16-12/h4-7H,8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one?
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 80654427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).