4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine

C10H13BrClN3O2 — CID 106999878

IUPAC4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine
SMILESCOc1nc(N2CCOCC2CCl)ncc1Br
InChIInChI=1S/C10H13BrClN3O2/c1-16-9-8(11)5-13-10(14-9)15-2-3-17-6-7(15)4-12/h5,7H,2-4,6H2,1H3
InChIKeyOMLKCHYJLHNJIU-UHFFFAOYSA-N
MW322.59 g/mol
LogP1.69
Rot. Bonds3

About 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine

4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine (PubChem CID 106999878) has the molecular formula C10H13BrClN3O2 and a molecular weight of 322.59 g/mol. Its IUPAC name is 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine
PubChem CID106999878
Molecular FormulaC10H13BrClN3O2
Molecular Weight322.59 g/mol
Exact Mass320.99
IUPAC Name4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine
SMILESCOc1nc(N2CCOCC2CCl)ncc1Br
InChIInChI=1S/C10H13BrClN3O2/c1-16-9-8(11)5-13-10(14-9)15-2-3-17-6-7(15)4-12/h5,7H,2-4,6H2,1H3
InChIKeyOMLKCHYJLHNJIU-UHFFFAOYSA-N
XLogP1.69
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 51.69
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

N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
CID 106999679
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 103745895
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine
CID 106998163
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylazepane
CID 106998939
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)-4-methoxypyrimidine
CID 103749930
1-[4-(5-bromopyrimidin-2-yl)morpholin-3-yl]propan-2-ol
CID 133476027
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
4-(5-bromo-4-methoxypyrimidin-2-yl)-3-ethylpiperazin-2-one
CID 106998920
(3S)-3-ethyl-4-[4-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 175844619
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine?
The IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine (CID 106999878) is 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine.
What is the SMILES notation for 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine?
The canonical SMILES for 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine is COc1nc(N2CCOCC2CCl)ncc1Br.
What is the InChIKey of 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine?
The InChIKey is OMLKCHYJLHNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O2/c1-16-9-8(11)5-13-10(14-9)15-2-3-17-6-7(15)4-12/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine?
4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine has a molecular weight of 322.59 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine is sourced from PubChem (CID 106999878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).