4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine

C13H17BrN4O — CID 71138715

IUPAC4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine
SMILESCC(C)c1nc2c(N3CCOCC3)cncn2c1Br
InChIInChI=1S/C13H17BrN4O/c1-9(2)11-12(14)18-8-15-7-10(13(18)16-11)17-3-5-19-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyZZJCFTSLQOENCM-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.45
Rot. Bonds2

About 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine

4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine (PubChem CID 71138715) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine
PubChem CID71138715
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine
SMILESCC(C)c1nc2c(N3CCOCC3)cncn2c1Br
InChIInChI=1S/C13H17BrN4O/c1-9(2)11-12(14)18-8-15-7-10(13(18)16-11)17-3-5-19-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyZZJCFTSLQOENCM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine?
The IUPAC name of 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine (CID 71138715) is 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine.
What is the SMILES notation for 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine?
The canonical SMILES for 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine is CC(C)c1nc2c(N3CCOCC3)cncn2c1Br.
What is the InChIKey of 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine?
The InChIKey is ZZJCFTSLQOENCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-9(2)11-12(14)18-8-15-7-10(13(18)16-11)17-3-5-19-6-4-17/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine?
4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine has a molecular weight of 325.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-propan-2-ylimidazo[1,2-c]pyrimidin-8-yl)morpholine is sourced from PubChem (CID 71138715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).