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

C6H7IN2O3 — CID 66287180

IUPAC4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O3/c1-12-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyWGHLDLDMUAMJDW-UHFFFAOYSA-N
MW282.04 g/mol
LogP0.23
Rot. Bonds2

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

4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 66287180) has the molecular formula C6H7IN2O3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID66287180
Molecular FormulaC6H7IN2O3
Molecular Weight282.04 g/mol
Exact Mass281.95
IUPAC Name4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O3/c1-12-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyWGHLDLDMUAMJDW-UHFFFAOYSA-N
XLogP0.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 50.23
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-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 66287180) is 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is WGHLDLDMUAMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O3/c1-12-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 282.04 g/mol, XLogP of 0.23, 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-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66287180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).