3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine

C20H24ClN5O — CID 166992696

IUPAC3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
SMILES[H]/N=C(\c1cccc(C)c1Cl)c1ncc(N2CCC3(CCOC3)CC2)nc1N
InChIInChI=1S/C20H24ClN5O/c1-13-3-2-4-14(16(13)21)17(22)18-19(23)25-15(11-24-18)26-8-5-20(6-9-26)7-10-27-12-20/h2-4,11,22H,5-10,12H2,1H3,(H2,23,25)/b22-17+
InChIKeyOTYMPIDMWJLWES-OQKWZONESA-N
MW385.90 g/mol
LogP3.44
Rot. Bonds3

About 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine

3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine (PubChem CID 166992696) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
PubChem CID166992696
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
SMILES[H]/N=C(\c1cccc(C)c1Cl)c1ncc(N2CCC3(CCOC3)CC2)nc1N
InChIInChI=1S/C20H24ClN5O/c1-13-3-2-4-14(16(13)21)17(22)18-19(23)25-15(11-24-18)26-8-5-20(6-9-26)7-10-27-12-20/h2-4,11,22H,5-10,12H2,1H3,(H2,23,25)/b22-17+
InChIKeyOTYMPIDMWJLWES-OQKWZONESA-N
XLogP3.44
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine?
The IUPAC name of 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine (CID 166992696) is 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine?
The canonical SMILES for 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine is [H]/N=C(\c1cccc(C)c1Cl)c1ncc(N2CCC3(CCOC3)CC2)nc1N.
What is the InChIKey of 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine?
The InChIKey is OTYMPIDMWJLWES-OQKWZONESA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-13-3-2-4-14(16(13)21)17(22)18-19(23)25-15(11-24-18)26-8-5-20(6-9-26)7-10-27-12-20/h2-4,11,22H,5-10,12H2,1H3,(H2,23,25)/b22-17+.
What are the key properties of 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine?
3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine has a molecular weight of 385.90 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine is sourced from PubChem (CID 166992696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).