8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine

C16H19N5 — CID 106900929

IUPAC8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCc1ccc(CNc2nc(NC)cn3ccnc23)cc1
InChIInChI=1S/C16H19N5/c1-3-12-4-6-13(7-5-12)10-19-15-16-18-8-9-21(16)11-14(17-2)20-15/h4-9,11,17H,3,10H2,1-2H3,(H,19,20)
InChIKeyPCWDCWLEFRBMRB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds5

About 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 106900929) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID106900929
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCc1ccc(CNc2nc(NC)cn3ccnc23)cc1
InChIInChI=1S/C16H19N5/c1-3-12-4-6-13(7-5-12)10-19-15-16-18-8-9-21(16)11-14(17-2)20-15/h4-9,11,17H,3,10H2,1-2H3,(H,19,20)
InChIKeyPCWDCWLEFRBMRB-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine (CID 106900929) is 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine is CCc1ccc(CNc2nc(NC)cn3ccnc23)cc1.
What is the InChIKey of 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is PCWDCWLEFRBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-12-4-6-13(7-5-12)10-19-15-16-18-8-9-21(16)11-14(17-2)20-15/h4-9,11,17H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 106900929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).