2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine

C13H20BrN3O2 — CID 112639426

IUPAC2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
SMILESCC(C)Oc1ccnc(N2CC(CBr)OCC2C)n1
InChIInChI=1S/C13H20BrN3O2/c1-9(2)19-12-4-5-15-13(16-12)17-7-11(6-14)18-8-10(17)3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyZTAOFDHKWQWCJB-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.25
Rot. Bonds4

About 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine

2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine (PubChem CID 112639426) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
PubChem CID112639426
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
SMILESCC(C)Oc1ccnc(N2CC(CBr)OCC2C)n1
InChIInChI=1S/C13H20BrN3O2/c1-9(2)19-12-4-5-15-13(16-12)17-7-11(6-14)18-8-10(17)3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyZTAOFDHKWQWCJB-UHFFFAOYSA-N
XLogP2.25
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273514
2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
CID 81210918
2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
CID 81210210
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
N-[[4-(4-propan-2-yloxypyrimidin-2-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 115975665
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
CID 107550636
2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine
CID 112635781
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-propan-2-yloxyphenyl)methanone
CID 81213808
3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 81210569
2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
CID 81209530
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 115975643

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine (CID 112639426) is 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine is CC(C)Oc1ccnc(N2CC(CBr)OCC2C)n1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine?
The InChIKey is ZTAOFDHKWQWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-9(2)19-12-4-5-15-13(16-12)17-7-11(6-14)18-8-10(17)3/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine?
2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine has a molecular weight of 330.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 112639426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).