4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C9H11IN2O3 — CID 103985987

IUPAC4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)nc(O)c1I
InChIInChI=1S/C9H11IN2O3/c10-7-8(13)11-6(12-9(7)14)3-5-1-2-15-4-5/h5H,1-4H2,(H2,11,12,13,14)
InChIKeyYRCZGNKVMDLGFM-UHFFFAOYSA-N
MW322.10 g/mol
LogP0.66
Rot. Bonds2

About 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 103985987) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID103985987
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)nc(O)c1I
InChIInChI=1S/C9H11IN2O3/c10-7-8(13)11-6(12-9(7)14)3-5-1-2-15-4-5/h5H,1-4H2,(H2,11,12,13,14)
InChIKeyYRCZGNKVMDLGFM-UHFFFAOYSA-N
XLogP0.66
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 50.66
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-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 103985987) is 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCOC2)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YRCZGNKVMDLGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c10-7-8(13)11-6(12-9(7)14)3-5-1-2-15-4-5/h5H,1-4H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 322.10 g/mol, XLogP of 0.66, 2 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-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103985987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).