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

C9H13IN2O3 — CID 116705760

IUPAC2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O3/c1-4-15-9(2,3)8-11-6(13)5(10)7(14)12-8/h4H2,1-3H3,(H2,11,12,13,14)
InChIKeyWMCRIXFASJWNKH-UHFFFAOYSA-N
MW324.12 g/mol
LogP1.35
Rot. Bonds3

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

2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705760) has the molecular formula C9H13IN2O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID116705760
Molecular FormulaC9H13IN2O3
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O3/c1-4-15-9(2,3)8-11-6(13)5(10)7(14)12-8/h4H2,1-3H3,(H2,11,12,13,14)
InChIKeyWMCRIXFASJWNKH-UHFFFAOYSA-N
XLogP1.35
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 51.35
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

4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(ethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65668232
4-hydroxy-5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66286572
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
2-(ethoxymethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286784
5-bromo-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201859
4-hydroxy-5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201860
5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202819
4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79203139
4-hydroxy-2-(2-methoxypropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 79203140
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 116705760) is 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOC(C)(C)c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WMCRIXFASJWNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O3/c1-4-15-9(2,3)8-11-6(13)5(10)7(14)12-8/h4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 324.12 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).