2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine

C11H16BrN3O — CID 102937159

IUPAC2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc(N2CC(C)OC(CBr)C2)n1
InChIInChI=1S/C11H16BrN3O/c1-8-3-4-13-11(14-8)15-6-9(2)16-10(5-12)7-15/h3-4,9-10H,5-7H2,1-2H3
InChIKeyKAFJMDUSSZZJSF-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.77
Rot. Bonds2

About 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine

2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine (PubChem CID 102937159) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
PubChem CID102937159
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc(N2CC(C)OC(CBr)C2)n1
InChIInChI=1S/C11H16BrN3O/c1-8-3-4-13-11(14-8)15-6-9(2)16-10(5-12)7-15/h3-4,9-10H,5-7H2,1-2H3
InChIKeyKAFJMDUSSZZJSF-UHFFFAOYSA-N
XLogP1.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine (CID 102937159) is 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine is Cc1ccnc(N2CC(C)OC(CBr)C2)n1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine?
The InChIKey is KAFJMDUSSZZJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8-3-4-13-11(14-8)15-6-9(2)16-10(5-12)7-15/h3-4,9-10H,5-7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine?
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine has a molecular weight of 286.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 102937159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).