6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine

C21H26Cl2N4 — CID 134183200

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine
SMILESCCc1nc(-c2cccc(Cl)c2Cl)c(N)nc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C21H26Cl2N4/c1-2-16-20(27-12-10-21(11-13-27)8-3-4-9-21)26-19(24)18(25-16)14-6-5-7-15(22)17(14)23/h5-7H,2-4,8-13H2,1H3,(H2,24,26)
InChIKeyWHZFXIIXHMYROM-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.76
Rot. Bonds3

About 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine

6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine (PubChem CID 134183200) has the molecular formula C21H26Cl2N4 and a molecular weight of 405.37 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine
PubChem CID134183200
Molecular FormulaC21H26Cl2N4
Molecular Weight405.37 g/mol
Exact Mass404.15
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine
SMILESCCc1nc(-c2cccc(Cl)c2Cl)c(N)nc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C21H26Cl2N4/c1-2-16-20(27-12-10-21(11-13-27)8-3-4-9-21)26-19(24)18(25-16)14-6-5-7-15(22)17(14)23/h5-7H,2-4,8-13H2,1H3,(H2,24,26)
InChIKeyWHZFXIIXHMYROM-UHFFFAOYSA-N
XLogP5.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine (CID 134183200) is 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine is CCc1nc(-c2cccc(Cl)c2Cl)c(N)nc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine?
The InChIKey is WHZFXIIXHMYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4/c1-2-16-20(27-12-10-21(11-13-27)8-3-4-9-21)26-19(24)18(25-16)14-6-5-7-15(22)17(14)23/h5-7H,2-4,8-13H2,1H3,(H2,24,26).
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine?
6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine has a molecular weight of 405.37 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-5-ethylpyrazin-2-amine is sourced from PubChem (CID 134183200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).