8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine

C15H16ClN5 — CID 107638907

IUPAC8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(Nc2cc(C)ccc2Cl)n1
InChIInChI=1S/C15H16ClN5/c1-3-17-13-9-21-7-6-18-15(21)14(20-13)19-12-8-10(2)4-5-11(12)16/h4-9,17H,3H2,1-2H3,(H,19,20)
InChIKeyVAFGOPZBKKUEBR-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.87
Rot. Bonds4

About 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 107638907) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID107638907
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(Nc2cc(C)ccc2Cl)n1
InChIInChI=1S/C15H16ClN5/c1-3-17-13-9-21-7-6-18-15(21)14(20-13)19-12-8-10(2)4-5-11(12)16/h4-9,17H,3H2,1-2H3,(H,19,20)
InChIKeyVAFGOPZBKKUEBR-UHFFFAOYSA-N
XLogP3.87
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine (CID 107638907) is 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(Nc2cc(C)ccc2Cl)n1.
What is the InChIKey of 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is VAFGOPZBKKUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-3-17-13-9-21-7-6-18-15(21)14(20-13)19-12-8-10(2)4-5-11(12)16/h4-9,17H,3H2,1-2H3,(H,19,20).
What are the key properties of 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 301.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 107638907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).