8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine

C16H25N5 — CID 80837774

IUPAC8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NC2CCCCC2(C)C)n1
InChIInChI=1S/C16H25N5/c1-4-17-13-11-21-10-9-18-15(21)14(20-13)19-12-7-5-6-8-16(12,2)3/h9-12,17H,4-8H2,1-3H3,(H,19,20)
InChIKeyBBUGBOBZIRBYLM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.54
Rot. Bonds4

About 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80837774) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80837774
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(NC2CCCCC2(C)C)n1
InChIInChI=1S/C16H25N5/c1-4-17-13-11-21-10-9-18-15(21)14(20-13)19-12-7-5-6-8-16(12,2)3/h9-12,17H,4-8H2,1-3H3,(H,19,20)
InChIKeyBBUGBOBZIRBYLM-UHFFFAOYSA-N
XLogP3.54
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80837774) is 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(NC2CCCCC2(C)C)n1.
What is the InChIKey of 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is BBUGBOBZIRBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-17-13-11-21-10-9-18-15(21)14(20-13)19-12-7-5-6-8-16(12,2)3/h9-12,17H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2,2-dimethylcyclohexyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80837774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).