N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine

C17H22N4O — CID 166238019

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine
SMILESCC(C)COc1cncc(NCc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C17H22N4O/c1-12(2)11-22-17-10-19-9-16(21-17)20-6-13-3-4-14-7-18-8-15(14)5-13/h3-5,9-10,12,18H,6-8,11H2,1-2H3,(H,20,21)
InChIKeyGBZGQAREJGVJEN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.73
Rot. Bonds6

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine (PubChem CID 166238019) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine
PubChem CID166238019
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine
SMILESCC(C)COc1cncc(NCc2ccc3c(c2)CNC3)n1
InChIInChI=1S/C17H22N4O/c1-12(2)11-22-17-10-19-9-16(21-17)20-6-13-3-4-14-7-18-8-15(14)5-13/h3-5,9-10,12,18H,6-8,11H2,1-2H3,(H,20,21)
InChIKeyGBZGQAREJGVJEN-UHFFFAOYSA-N
XLogP2.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine (CID 166238019) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine is CC(C)COc1cncc(NCc2ccc3c(c2)CNC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine?
The InChIKey is GBZGQAREJGVJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)11-22-17-10-19-9-16(21-17)20-6-13-3-4-14-7-18-8-15(14)5-13/h3-5,9-10,12,18H,6-8,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(2-methylpropoxy)pyrazin-2-amine is sourced from PubChem (CID 166238019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).