1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol

C11H15BrN4O — CID 79946664

IUPAC1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Br)cn2ccnc12
InChIInChI=1S/C11H15BrN4O/c1-11(2,17)7-15(3)10-9-13-4-5-16(9)6-8(12)14-10/h4-6,17H,7H2,1-3H3
InChIKeyHMCLNLQJCSCRJR-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.70
Rot. Bonds3

About 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79946664) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79946664
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1nc(Br)cn2ccnc12
InChIInChI=1S/C11H15BrN4O/c1-11(2,17)7-15(3)10-9-13-4-5-16(9)6-8(12)14-10/h4-6,17H,7H2,1-3H3
InChIKeyHMCLNLQJCSCRJR-UHFFFAOYSA-N
XLogP1.70
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol (CID 79946664) is 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1nc(Br)cn2ccnc12.
What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is HMCLNLQJCSCRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-11(2,17)7-15(3)10-9-13-4-5-16(9)6-8(12)14-10/h4-6,17H,7H2,1-3H3.
What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 299.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79946664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).