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

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Related Compounds

1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
CID 51084089
(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95575479
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
(1S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95138452
3-[(3,5-difluorophenyl)methylamino]azepan-2-one
CID 103613609
3-(1,3-thiazol-4-ylmethylamino)azepan-2-one
CID 47350091
3-(1-morpholin-4-ylpropan-2-ylamino)azepan-2-one
CID 54964812
3-[[4-morpholin-4-yl-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]amino]azepan-2-one
CID 134107764
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
4-[[(2-oxoazepan-3-yl)amino]methyl]benzonitrile
CID 43688015
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 80797911

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).