2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C6H7IN2O2 — CID 66285760

IUPAC2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyMWIOXPHRNAPYQU-UHFFFAOYSA-N
MW266.04 g/mol
LogP0.64
Rot. Bonds1

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

2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66285760) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66285760
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C6H7IN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyMWIOXPHRNAPYQU-UHFFFAOYSA-N
XLogP0.64
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66285760) is 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is MWIOXPHRNAPYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c1-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 266.04 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66285760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).