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

C6H7IN2O3 — CID 114676174

IUPAC4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCO)c1I
InChIInChI=1S/C6H7IN2O3/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11)
InChIKeyRYEQEDUQPKERBF-UHFFFAOYSA-N
MW282.04 g/mol
LogP-0.25
Rot. Bonds3

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

4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114676174) has the molecular formula C6H7IN2O3 and a molecular weight of 282.04 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114676174
Molecular FormulaC6H7IN2O3
Molecular Weight282.04 g/mol
Exact Mass281.95
IUPAC Name4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCO)c1I
InChIInChI=1S/C6H7IN2O3/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11)
InChIKeyRYEQEDUQPKERBF-UHFFFAOYSA-N
XLogP-0.25
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
CID 102607197
5-amino-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 103240753
4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 103240761
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]acetic acid
CID 114585816
4-(2-butoxyethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114675890
6-Ethoxy-5-iodopyrimidin-4(3h)-one
CID 114675914
4-(2-ethoxyethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676069
5-iodo-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 114676130
5-chloro-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 114676173
5-bromo-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 114676175
4-(3-hydroxypropoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676201
5-iodo-4-propoxy-1H-pyrimidin-6-one
CID 114676227

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one (CID 114676174) is 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCO)c1I.
What is the InChIKey of 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RYEQEDUQPKERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O3/c7-4-5(11)8-3-9-6(4)12-2-1-10/h3,10H,1-2H2,(H,8,9,11).
What are the key properties of 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one?
4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 282.04 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114676174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).