N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C21H30Cl2N4 — CID 22249081

IUPACN'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C21H30Cl2N4/c1-6-11-27(13-12-26(4)5)21-19(8-3)24-20(18(7-2)25-21)16-10-9-15(22)14-17(16)23/h9-10,14H,6-8,11-13H2,1-5H3
InChIKeyZHKYGVSCOALUME-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.35
Rot. Bonds9

About N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 22249081) has the molecular formula C21H30Cl2N4 and a molecular weight of 409.41 g/mol. Its IUPAC name is N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID22249081
Molecular FormulaC21H30Cl2N4
Molecular Weight409.41 g/mol
Exact Mass408.18
IUPAC NameN'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C21H30Cl2N4/c1-6-11-27(13-12-26(4)5)21-19(8-3)24-20(18(7-2)25-21)16-10-9-15(22)14-17(16)23/h9-10,14H,6-8,11-13H2,1-5H3
InChIKeyZHKYGVSCOALUME-UHFFFAOYSA-N
XLogP5.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 22249081) is N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC.
What is the InChIKey of N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is ZHKYGVSCOALUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Cl2N4/c1-6-11-27(13-12-26(4)5)21-19(8-3)24-20(18(7-2)25-21)16-10-9-15(22)14-17(16)23/h9-10,14H,6-8,11-13H2,1-5H3.
What are the key properties of N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 409.41 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 22249081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).