6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine

C15H24BrN3O2 — CID 114781072

IUPAC6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
SMILESCCCOc1cc(C)nc(N2CC(CBr)OC(C)(C)C2)n1
InChIInChI=1S/C15H24BrN3O2/c1-5-6-20-13-7-11(2)17-14(18-13)19-9-12(8-16)21-15(3,4)10-19/h7,12H,5-6,8-10H2,1-4H3
InChIKeyROXHDKGRQARKIL-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.95
Rot. Bonds5

About 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine

6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine (PubChem CID 114781072) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
PubChem CID114781072
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
SMILESCCCOc1cc(C)nc(N2CC(CBr)OC(C)(C)C2)n1
InChIInChI=1S/C15H24BrN3O2/c1-5-6-20-13-7-11(2)17-14(18-13)19-9-12(8-16)21-15(3,4)10-19/h7,12H,5-6,8-10H2,1-4H3
InChIKeyROXHDKGRQARKIL-UHFFFAOYSA-N
XLogP2.95
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine (CID 114781072) is 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine is CCCOc1cc(C)nc(N2CC(CBr)OC(C)(C)C2)n1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
The InChIKey is ROXHDKGRQARKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-5-6-20-13-7-11(2)17-14(18-13)19-9-12(8-16)21-15(3,4)10-19/h7,12H,5-6,8-10H2,1-4H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine has a molecular weight of 358.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 114781072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).