2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 66286179

IUPAC2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCCC2)nc(O)c1I
InChIInChI=1S/C10H14IN3O2/c11-7-8(15)12-10(13-9(7)16)14-5-3-1-2-4-6-14/h1-6H2,(H2,12,13,15,16)
InChIKeyVCZOYZUVOVZLNN-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.46
Rot. Bonds1

About 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66286179) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66286179
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCCC2)nc(O)c1I
InChIInChI=1S/C10H14IN3O2/c11-7-8(15)12-10(13-9(7)16)14-5-3-1-2-4-6-14/h1-6H2,(H2,12,13,15,16)
InChIKeyVCZOYZUVOVZLNN-UHFFFAOYSA-N
XLogP1.46
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66286179) is 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCCCC2)nc(O)c1I.
What is the InChIKey of 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VCZOYZUVOVZLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c11-7-8(15)12-10(13-9(7)16)14-5-3-1-2-4-6-14/h1-6H2,(H2,12,13,15,16).
What are the key properties of 2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 1.46, 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-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66286179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).