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

C14H19BrN4 — CID 79176874

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cnc3cnc(Br)cn23)C1
InChIInChI=1S/C14H19BrN4/c1-10-3-2-4-11(5-10)16-6-12-7-18-14-8-17-13(15)9-19(12)14/h7-11,16H,2-6H2,1H3
InChIKeyMYMGENBPIBVQIU-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.16
Rot. Bonds3

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 79176874) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID79176874
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cnc3cnc(Br)cn23)C1
InChIInChI=1S/C14H19BrN4/c1-10-3-2-4-11(5-10)16-6-12-7-18-14-8-17-13(15)9-19(12)14/h7-11,16H,2-6H2,1H3
InChIKeyMYMGENBPIBVQIU-UHFFFAOYSA-N
XLogP3.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
CID 79175819
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009339
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79166683
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83033299
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine
CID 81387509
[2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexyl]methanol
CID 106359611
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]cyclopentanamine
CID 117256170
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 79177061
2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
CID 79165909
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
[1-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358358

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine (CID 79176874) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cnc3cnc(Br)cn23)C1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is MYMGENBPIBVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-10-3-2-4-11(5-10)16-6-12-7-18-14-8-17-13(15)9-19(12)14/h7-11,16H,2-6H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 323.24 g/mol, XLogP of 3.16, 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]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 79176874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).