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

C10H15N3O2 — CID 63612083

IUPAC2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCCCCC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-8-7-9(15)12-10(11-8)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12,14,15)
InChIKeyQZLAROLTUICYMA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.86
Rot. Bonds1

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

2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63612083) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63612083
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(N2CCCCCC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-8-7-9(15)12-10(11-8)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12,14,15)
InChIKeyQZLAROLTUICYMA-UHFFFAOYSA-N
XLogP0.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 63612083) is 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(N2CCCCCC2)[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QZLAROLTUICYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-8-7-9(15)12-10(11-8)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12,14,15).
What are the key properties of 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63612083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).