1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H16BrN5 — CID 115378837

IUPAC1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(Nc2nc(Br)cn3ccnc23)cc1N(C)C
InChIInChI=1S/C15H16BrN5/c1-10-4-5-11(8-12(10)20(2)3)18-14-15-17-6-7-21(15)9-13(16)19-14/h4-9H,1-3H3,(H,18,19)
InChIKeyFMLMAJYSYWWUOG-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.61
Rot. Bonds3

About 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115378837) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115378837
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(Nc2nc(Br)cn3ccnc23)cc1N(C)C
InChIInChI=1S/C15H16BrN5/c1-10-4-5-11(8-12(10)20(2)3)18-14-15-17-6-7-21(15)9-13(16)19-14/h4-9H,1-3H3,(H,18,19)
InChIKeyFMLMAJYSYWWUOG-UHFFFAOYSA-N
XLogP3.61
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115378837) is 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(Nc2nc(Br)cn3ccnc23)cc1N(C)C.
What is the InChIKey of 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is FMLMAJYSYWWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-10-4-5-11(8-12(10)20(2)3)18-14-15-17-6-7-21(15)9-13(16)19-14/h4-9H,1-3H3,(H,18,19).
What are the key properties of 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 346.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115378837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).