5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one

C10H14IN3O3 — CID 102634996

IUPAC5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2nc[nH]c(=O)c2I)O1
InChIInChI=1S/C10H14IN3O3/c1-6-2-12-3-7(17-6)4-16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyCTTIXMISUVDOHW-UHFFFAOYSA-N
MW351.14 g/mol
LogP0.13
Rot. Bonds3

About 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one

5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 102634996) has the molecular formula C10H14IN3O3 and a molecular weight of 351.14 g/mol. Its IUPAC name is 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID102634996
Molecular FormulaC10H14IN3O3
Molecular Weight351.14 g/mol
Exact Mass351.01
IUPAC Name5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCC1CNCC(COc2nc[nH]c(=O)c2I)O1
InChIInChI=1S/C10H14IN3O3/c1-6-2-12-3-7(17-6)4-16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyCTTIXMISUVDOHW-UHFFFAOYSA-N
XLogP0.13
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 50.13
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 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 102634996) is 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is CC1CNCC(COc2nc[nH]c(=O)c2I)O1.
What is the InChIKey of 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is CTTIXMISUVDOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O3/c1-6-2-12-3-7(17-6)4-16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one?
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 351.14 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 102634996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).