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

C19H26Cl2N4 — CID 53310276

IUPAC2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C)CN(C)C
InChIInChI=1S/C19H26Cl2N4/c1-6-16-18(14-9-8-13(20)10-15(14)21)23-17(7-2)19(24-16)22-12(3)11-25(4)5/h8-10,12H,6-7,11H2,1-5H3,(H,22,24)
InChIKeyBIAKCZGGQHGNJY-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.94
Rot. Bonds7

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

2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 53310276) has the molecular formula C19H26Cl2N4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID53310276
Molecular FormulaC19H26Cl2N4
Molecular Weight381.35 g/mol
Exact Mass380.15
IUPAC Name2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C)CN(C)C
InChIInChI=1S/C19H26Cl2N4/c1-6-16-18(14-9-8-13(20)10-15(14)21)23-17(7-2)19(24-16)22-12(3)11-25(4)5/h8-10,12H,6-7,11H2,1-5H3,(H,22,24)
InChIKeyBIAKCZGGQHGNJY-UHFFFAOYSA-N
XLogP4.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 53310276) is 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(C)CN(C)C.
What is the InChIKey of 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is BIAKCZGGQHGNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4/c1-6-16-18(14-9-8-13(20)10-15(14)21)23-17(7-2)19(24-16)22-12(3)11-25(4)5/h8-10,12H,6-7,11H2,1-5H3,(H,22,24).
What are the key properties of 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 381.35 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 53310276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).