4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one

C9H12IN3O2 — CID 66286993

IUPAC4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)nc(O)c1I
InChIInChI=1S/C9H12IN3O2/c10-6-7(14)11-9(12-8(6)15)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15)
InChIKeyVDUBFTJLNWKFAG-UHFFFAOYSA-N
MW321.12 g/mol
LogP1.07
Rot. Bonds1

About 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 66286993) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID66286993
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)nc(O)c1I
InChIInChI=1S/C9H12IN3O2/c10-6-7(14)11-9(12-8(6)15)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15)
InChIKeyVDUBFTJLNWKFAG-UHFFFAOYSA-N
XLogP1.07
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 51.07
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 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 66286993) is 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCCC2)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is VDUBFTJLNWKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c10-6-7(14)11-9(12-8(6)15)13-4-2-1-3-5-13/h1-5H2,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 321.12 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66286993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).