N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C15H21BrN4 — CID 79166683

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCc2cnc3cnc(Br)cn23)CC1
InChIInChI=1S/C15H21BrN4/c1-15(2)5-3-11(4-6-15)17-7-12-8-19-14-9-18-13(16)10-20(12)14/h8-11,17H,3-7H2,1-2H3
InChIKeyVRMCTYLQUICYDQ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.55
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 79166683) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID79166683
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCc2cnc3cnc(Br)cn23)CC1
InChIInChI=1S/C15H21BrN4/c1-15(2)5-3-11(4-6-15)17-7-12-8-19-14-9-18-13(16)10-20(12)14/h8-11,17H,3-7H2,1-2H3
InChIKeyVRMCTYLQUICYDQ-UHFFFAOYSA-N
XLogP3.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 79166683) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(NCc2cnc3cnc(Br)cn23)CC1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is VRMCTYLQUICYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-15(2)5-3-11(4-6-15)17-7-12-8-19-14-9-18-13(16)10-20(12)14/h8-11,17H,3-7H2,1-2H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 337.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79166683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).