6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

C15H24N6 — CID 80836320

IUPAC6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C15H24N6/c1-4-16-13-11-21-9-7-17-14(21)15(18-13)20(3)10-12-6-5-8-19(12)2/h7,9,11-12,16H,4-6,8,10H2,1-3H3
InChIKeyGIKJMYSCXRKHIJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.69
Rot. Bonds5

About 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80836320) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80836320
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCNc1cn2ccnc2c(N(C)CC2CCCN2C)n1
InChIInChI=1S/C15H24N6/c1-4-16-13-11-21-9-7-17-14(21)15(18-13)20(3)10-12-6-5-8-19(12)2/h7,9,11-12,16H,4-6,8,10H2,1-3H3
InChIKeyGIKJMYSCXRKHIJ-UHFFFAOYSA-N
XLogP1.69
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80836320) is 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is CCNc1cn2ccnc2c(N(C)CC2CCCN2C)n1.
What is the InChIKey of 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is GIKJMYSCXRKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-16-13-11-21-9-7-17-14(21)15(18-13)20(3)10-12-6-5-8-19(12)2/h7,9,11-12,16H,4-6,8,10H2,1-3H3.
What are the key properties of 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-8-N-methyl-8-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80836320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).