4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine

C13H17BrN4O — CID 23766177

IUPAC4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine
SMILESCc1cc(C)n2c(Br)c(CN3CCOCC3)nc2n1
InChIInChI=1S/C13H17BrN4O/c1-9-7-10(2)18-12(14)11(16-13(18)15-9)8-17-3-5-19-6-4-17/h7H,3-6,8H2,1-2H3
InChIKeyRYSGBTCADGVSQX-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.94
Rot. Bonds2

About 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine

4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine (PubChem CID 23766177) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine
PubChem CID23766177
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine
SMILESCc1cc(C)n2c(Br)c(CN3CCOCC3)nc2n1
InChIInChI=1S/C13H17BrN4O/c1-9-7-10(2)18-12(14)11(16-13(18)15-9)8-17-3-5-19-6-4-17/h7H,3-6,8H2,1-2H3
InChIKeyRYSGBTCADGVSQX-UHFFFAOYSA-N
XLogP1.94
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine (CID 23766177) is 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine is Cc1cc(C)n2c(Br)c(CN3CCOCC3)nc2n1.
What is the InChIKey of 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine?
The InChIKey is RYSGBTCADGVSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-9-7-10(2)18-12(14)11(16-13(18)15-9)8-17-3-5-19-6-4-17/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine?
4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine has a molecular weight of 325.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]morpholine is sourced from PubChem (CID 23766177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).