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

C14H21BrN4O — CID 79163946

IUPAC1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H21BrN4O/c1-10(2)4-14(3,20)9-16-5-11-6-18-13-7-17-12(15)8-19(11)13/h6-8,10,16,20H,4-5,9H2,1-3H3
InChIKeyYXAPSGGINXFLAQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.38
Rot. Bonds6

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

1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 79163946) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID79163946
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H21BrN4O/c1-10(2)4-14(3,20)9-16-5-11-6-18-13-7-17-12(15)8-19(11)13/h6-8,10,16,20H,4-5,9H2,1-3H3
InChIKeyYXAPSGGINXFLAQ-UHFFFAOYSA-N
XLogP2.38
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol (CID 79163946) is 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is YXAPSGGINXFLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-10(2)4-14(3,20)9-16-5-11-6-18-13-7-17-12(15)8-19(11)13/h6-8,10,16,20H,4-5,9H2,1-3H3.
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 341.25 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 79163946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).