2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one

C14H22N4O2 — CID 156533660

IUPAC2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(N2CCCCCC2)[nH]1
InChIInChI=1S/C14H22N4O2/c19-13-11-12(17-7-9-20-10-8-17)15-14(16-13)18-5-3-1-2-4-6-18/h11H,1-10H2,(H,15,16,19)
InChIKeyVEOULXVDDAYOBH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.99
Rot. Bonds2

About 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one

2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 156533660) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID156533660
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(N2CCCCCC2)[nH]1
InChIInChI=1S/C14H22N4O2/c19-13-11-12(17-7-9-20-10-8-17)15-14(16-13)18-5-3-1-2-4-6-18/h11H,1-10H2,(H,15,16,19)
InChIKeyVEOULXVDDAYOBH-UHFFFAOYSA-N
XLogP0.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one (CID 156533660) is 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one is O=c1cc(N2CCOCC2)nc(N2CCCCCC2)[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is VEOULXVDDAYOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13-11-12(17-7-9-20-10-8-17)15-14(16-13)18-5-3-1-2-4-6-18/h11H,1-10H2,(H,15,16,19).
What are the key properties of 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one?
2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 156533660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).