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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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(2-methylpropoxy)pyrazin-2-amine
CID 84585556
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methoxypyridin-4-amine
CID 105357951
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
CID 114252253
[3-[[[6-(2-methylpropoxy)pyrazin-2-yl]amino]methyl]oxetan-3-yl]methanol
CID 133399172
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine
CID 155403354
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
CID 103998248
N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine
CID 71857378
6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine
CID 133449496
2-cyclopropyl-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456498

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).