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

C10H14IN3O3 — CID 79667166

IUPAC2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2nc(O)c(I)c(=O)[nH]2)C1
InChIInChI=1S/C10H14IN3O3/c1-2-14-3-4-17-6(5-14)8-12-9(15)7(11)10(16)13-8/h6H,2-5H2,1H3,(H2,12,13,15,16)
InChIKeyCWGRQXBTOVOYBR-UHFFFAOYSA-N
MW351.14 g/mol
LogP0.47
Rot. Bonds2

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

2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 79667166) has the molecular formula C10H14IN3O3 and a molecular weight of 351.14 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID79667166
Molecular FormulaC10H14IN3O3
Molecular Weight351.14 g/mol
Exact Mass351.01
IUPAC Name2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCN1CCOC(c2nc(O)c(I)c(=O)[nH]2)C1
InChIInChI=1S/C10H14IN3O3/c1-2-14-3-4-17-6(5-14)8-12-9(15)7(11)10(16)13-8/h6H,2-5H2,1H3,(H2,12,13,15,16)
InChIKeyCWGRQXBTOVOYBR-UHFFFAOYSA-N
XLogP0.47
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 79667166) is 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCN1CCOC(c2nc(O)c(I)c(=O)[nH]2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CWGRQXBTOVOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O3/c1-2-14-3-4-17-6(5-14)8-12-9(15)7(11)10(16)13-8/h6H,2-5H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 351.14 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 79667166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).