5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol

C14H21BrN4O — CID 106144196

IUPAC5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H21BrN4O/c1-14(2,4-3-5-20)10-16-6-11-7-18-13-8-17-12(15)9-19(11)13/h7-9,16,20H,3-6,10H2,1-2H3
InChIKeyNHQIEXCEVVUXIG-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.38
Rot. Bonds7

About 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol

5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106144196) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID106144196
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H21BrN4O/c1-14(2,4-3-5-20)10-16-6-11-7-18-13-8-17-12(15)9-19(11)13/h7-9,16,20H,3-6,10H2,1-2H3
InChIKeyNHQIEXCEVVUXIG-UHFFFAOYSA-N
XLogP2.38
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol (CID 106144196) is 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is NHQIEXCEVVUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-14(2,4-3-5-20)10-16-6-11-7-18-13-8-17-12(15)9-19(11)13/h7-9,16,20H,3-6,10H2,1-2H3.
What are the key properties of 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 341.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).