3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one

C15H23N5O2 — CID 56797269

IUPAC3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one
SMILESO=C1NCCCCC1NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H23N5O2/c21-14-13(3-1-2-4-16-14)17-9-12-10-18-15(19-11-12)20-5-7-22-8-6-20/h10-11,13,17H,1-9H2,(H,16,21)
InChIKeyWPIJATHXMCJGEZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.07
Rot. Bonds4

About 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one

3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one (PubChem CID 56797269) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one
PubChem CID56797269
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one
SMILESO=C1NCCCCC1NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H23N5O2/c21-14-13(3-1-2-4-16-14)17-9-12-10-18-15(19-11-12)20-5-7-22-8-6-20/h10-11,13,17H,1-9H2,(H,16,21)
InChIKeyWPIJATHXMCJGEZ-UHFFFAOYSA-N
XLogP0.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-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 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one?
The IUPAC name of 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one (CID 56797269) is 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one.
What is the SMILES notation for 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one?
The canonical SMILES for 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one is O=C1NCCCCC1NCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one?
The InChIKey is WPIJATHXMCJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14-13(3-1-2-4-16-14)17-9-12-10-18-15(19-11-12)20-5-7-22-8-6-20/h10-11,13,17H,1-9H2,(H,16,21).
What are the key properties of 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one?
3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one is sourced from PubChem (CID 56797269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).