N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine

C24H28Cl2N4 — CID 143313630

IUPACN-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H28Cl2N4/c1-3-30(4-2)16-6-5-15-27-22-17-28-23(18-7-11-20(25)12-8-18)24(29-22)19-9-13-21(26)14-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,27,29)
InChIKeyDHWBVXYOUYKLPX-UHFFFAOYSA-N
MW443.42 g/mol
LogP6.65
Rot. Bonds10

About N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine

N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine (PubChem CID 143313630) has the molecular formula C24H28Cl2N4 and a molecular weight of 443.42 g/mol. Its IUPAC name is N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine
PubChem CID143313630
Molecular FormulaC24H28Cl2N4
Molecular Weight443.42 g/mol
Exact Mass442.17
IUPAC NameN-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H28Cl2N4/c1-3-30(4-2)16-6-5-15-27-22-17-28-23(18-7-11-20(25)12-8-18)24(29-22)19-9-13-21(26)14-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,27,29)
InChIKeyDHWBVXYOUYKLPX-UHFFFAOYSA-N
XLogP6.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
CID 71199797
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 143313007
N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 143313587
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
2,3-bis(4-chlorophenyl)-5-methylpyrazine
CID 14096510
3-(2,6-dichlorophenyl)-7-N-[4-(diethylamino)butyl]-1,6-naphthyridine-2,7-diamine
CID 5330145
N-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 70798838
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]pyrimidine-2,4-diamine
CID 91441465
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
CID 5328705
N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 106544023
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930

Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine?
The IUPAC name of N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine (CID 143313630) is N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine.
What is the SMILES notation for N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine?
The canonical SMILES for N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine is CCN(CC)CCCCNc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine?
The InChIKey is DHWBVXYOUYKLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4/c1-3-30(4-2)16-6-5-15-27-22-17-28-23(18-7-11-20(25)12-8-18)24(29-22)19-9-13-21(26)14-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine?
N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine has a molecular weight of 443.42 g/mol, XLogP of 6.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N',N'-diethylbutane-1,4-diamine is sourced from PubChem (CID 143313630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).