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

C11H16IN3O2 — CID 136970810

IUPAC4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCC1COC(C)CN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-3-8-5-17-7(2)4-15(8)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyYYTGGKGIODHZNK-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.38
Rot. Bonds2

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

4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136970810) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136970810
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCCC1COC(C)CN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O2/c1-3-8-5-17-7(2)4-15(8)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyYYTGGKGIODHZNK-UHFFFAOYSA-N
XLogP1.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one (CID 136970810) is 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one is CCC1COC(C)CN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YYTGGKGIODHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-3-8-5-17-7(2)4-15(8)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one?
4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylmorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136970810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).