[4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol

C11H16IN3O2 — CID 135262511

IUPAC[4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol
SMILESCc1nc(I)cc(N2CCOC(C)(CO)C2)n1
InChIInChI=1S/C11H16IN3O2/c1-8-13-9(12)5-10(14-8)15-3-4-17-11(2,6-15)7-16/h5,16H,3-4,6-7H2,1-2H3
InChIKeyVBJZLFVIWIIXNC-UHFFFAOYSA-N
MW349.17 g/mol
LogP0.98
Rot. Bonds2

About [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol

[4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol (PubChem CID 135262511) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol
PubChem CID135262511
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name[4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol
SMILESCc1nc(I)cc(N2CCOC(C)(CO)C2)n1
InChIInChI=1S/C11H16IN3O2/c1-8-13-9(12)5-10(14-8)15-3-4-17-11(2,6-15)7-16/h5,16H,3-4,6-7H2,1-2H3
InChIKeyVBJZLFVIWIIXNC-UHFFFAOYSA-N
XLogP0.98
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
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-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol (CID 135262511) is [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol is Cc1nc(I)cc(N2CCOC(C)(CO)C2)n1.
What is the InChIKey of [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol?
The InChIKey is VBJZLFVIWIIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-8-13-9(12)5-10(14-8)15-3-4-17-11(2,6-15)7-16/h5,16H,3-4,6-7H2,1-2H3.
What are the key properties of [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol?
[4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol has a molecular weight of 349.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-iodo-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 135262511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).