4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C9H13IN2O4 — CID 102927170

IUPAC4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O4/c1-15-4-5-16-3-2-6-11-8(13)7(10)9(14)12-6/h2-5H2,1H3,(H2,11,12,13,14)
InChIKeyDONQFYCVQWIQJX-UHFFFAOYSA-N
MW340.12 g/mol
LogP0.29
Rot. Bonds6

About 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927170) has the molecular formula C9H13IN2O4 and a molecular weight of 340.12 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927170
Molecular FormulaC9H13IN2O4
Molecular Weight340.12 g/mol
Exact Mass339.99
IUPAC Name4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O4/c1-15-4-5-16-3-2-6-11-8(13)7(10)9(14)12-6/h2-5H2,1H3,(H2,11,12,13,14)
InChIKeyDONQFYCVQWIQJX-UHFFFAOYSA-N
XLogP0.29
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 103146621
4-hydroxy-5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146622
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285780
4-hydroxy-5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 66286581
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
4-hydroxy-5-iodo-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66287183
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927163
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 102927164
5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927169
5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927184
4-hydroxy-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249141
2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814934

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927170) is 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is DONQFYCVQWIQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O4/c1-15-4-5-16-3-2-6-11-8(13)7(10)9(14)12-6/h2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 340.12 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).