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

C10H15N3O — CID 1404230

IUPAC2-(azepan-1-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCCCCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-5-6-11-10(12-9)13-7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,11,12,14)
InChIKeyWJKXFJPBWJPKBS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.15
Rot. Bonds1

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

2-(azepan-1-yl)-1H-pyrimidin-6-one (PubChem CID 1404230) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-1H-pyrimidin-6-one
PubChem CID1404230
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(azepan-1-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCCCCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-5-6-11-10(12-9)13-7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,11,12,14)
InChIKeyWJKXFJPBWJPKBS-UHFFFAOYSA-N
XLogP1.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-1-yl)-1H-pyrimidin-6-one (CID 1404230) is 2-(azepan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-1-yl)-1H-pyrimidin-6-one is O=c1ccnc(N2CCCCCC2)[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WJKXFJPBWJPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-9-5-6-11-10(12-9)13-7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,11,12,14).
What are the key properties of 2-(azepan-1-yl)-1H-pyrimidin-6-one?
2-(azepan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 1404230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).