8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine

C16H19N5 — CID 80751543

IUPAC8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCNc1cn2ccnc2c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H19N5/c1-3-8-17-14-11-21-10-9-18-16(21)15(20-14)19-13-6-4-12(2)5-7-13/h4-7,9-11,17H,3,8H2,1-2H3,(H,19,20)
InChIKeySGCWAUYEQFBJAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.60
Rot. Bonds5

About 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80751543) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80751543
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCNc1cn2ccnc2c(Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H19N5/c1-3-8-17-14-11-21-10-9-18-16(21)15(20-14)19-13-6-4-12(2)5-7-13/h4-7,9-11,17H,3,8H2,1-2H3,(H,19,20)
InChIKeySGCWAUYEQFBJAT-UHFFFAOYSA-N
XLogP3.60
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80751543) is 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine is CCCNc1cn2ccnc2c(Nc2ccc(C)cc2)n1.
What is the InChIKey of 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is SGCWAUYEQFBJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-8-17-14-11-21-10-9-18-16(21)15(20-14)19-13-6-4-12(2)5-7-13/h4-7,9-11,17H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 281.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80751543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).