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

C13H20BrN3O2 — CID 112635773

IUPAC2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
SMILESCCCOc1cc(C)nc(N2CCOC(CBr)C2)n1
InChIInChI=1S/C13H20BrN3O2/c1-3-5-19-12-7-10(2)15-13(16-12)17-4-6-18-11(8-14)9-17/h7,11H,3-6,8-9H2,1-2H3
InChIKeyFZMASYHXCXYGHG-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.17
Rot. Bonds5

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

2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine (PubChem CID 112635773) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
PubChem CID112635773
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
SMILESCCCOc1cc(C)nc(N2CCOC(CBr)C2)n1
InChIInChI=1S/C13H20BrN3O2/c1-3-5-19-12-7-10(2)15-13(16-12)17-4-6-18-11(8-14)9-17/h7,11H,3-6,8-9H2,1-2H3
InChIKeyFZMASYHXCXYGHG-UHFFFAOYSA-N
XLogP2.17
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.17
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

[4-(4-methyl-6-propoxypyrimidin-2-yl)morpholin-2-yl]methanamine
CID 112634676
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892
2-(bromomethyl)-4-(3,6-dimethylpyrazin-2-yl)morpholine
CID 81210895
2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
CID 114787902
[1-(4-methyl-6-propoxypyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 115973341
1-(4-methyl-6-propoxypyrimidin-2-yl)-3-propylazetidin-3-amine
CID 112635869

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine (CID 112635773) is 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine is CCCOc1cc(C)nc(N2CCOC(CBr)C2)n1.
What is the InChIKey of 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
The InChIKey is FZMASYHXCXYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-3-5-19-12-7-10(2)15-13(16-12)17-4-6-18-11(8-14)9-17/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine?
2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine has a molecular weight of 330.23 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 112635773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).