1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C16H19N5O — CID 154865732

IUPAC1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc(NCC2CC(=O)N(C)C2)cc(-c2ccccn2)n1
InChIInChI=1S/C16H19N5O/c1-11-19-14(13-5-3-4-6-17-13)8-15(20-11)18-9-12-7-16(22)21(2)10-12/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyFXFWCZGAUQTKBZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.74
Rot. Bonds4

About 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 154865732) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID154865732
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nc(NCC2CC(=O)N(C)C2)cc(-c2ccccn2)n1
InChIInChI=1S/C16H19N5O/c1-11-19-14(13-5-3-4-6-17-13)8-15(20-11)18-9-12-7-16(22)21(2)10-12/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyFXFWCZGAUQTKBZ-UHFFFAOYSA-N
XLogP1.74
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-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 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 154865732) is 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is Cc1nc(NCC2CC(=O)N(C)C2)cc(-c2ccccn2)n1.
What is the InChIKey of 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is FXFWCZGAUQTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-19-14(13-5-3-4-6-17-13)8-15(20-11)18-9-12-7-16(22)21(2)10-12/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 154865732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).