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

C9H12IN3O3 — CID 79077073

IUPAC4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nc(O)c(I)c(=O)[nH]2)C1
InChIInChI=1S/C9H12IN3O3/c1-13-2-3-16-5(4-13)7-11-8(14)6(10)9(15)12-7/h5H,2-4H2,1H3,(H2,11,12,14,15)
InChIKeyKQNAUXKQTDXUAF-UHFFFAOYSA-N
MW337.12 g/mol
LogP0.08
Rot. Bonds1

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

4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79077073) has the molecular formula C9H12IN3O3 and a molecular weight of 337.12 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79077073
Molecular FormulaC9H12IN3O3
Molecular Weight337.12 g/mol
Exact Mass336.99
IUPAC Name4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nc(O)c(I)c(=O)[nH]2)C1
InChIInChI=1S/C9H12IN3O3/c1-13-2-3-16-5(4-13)7-11-8(14)6(10)9(15)12-7/h5H,2-4H2,1H3,(H2,11,12,14,15)
InChIKeyKQNAUXKQTDXUAF-UHFFFAOYSA-N
XLogP0.08
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 50.08
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 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79077073) is 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CN1CCOC(c2nc(O)c(I)c(=O)[nH]2)C1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KQNAUXKQTDXUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O3/c1-13-2-3-16-5(4-13)7-11-8(14)6(10)9(15)12-7/h5H,2-4H2,1H3,(H2,11,12,14,15).
What are the key properties of 4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 337.12 g/mol, XLogP of 0.08, 1 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-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79077073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).