2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine

C12H12Cl2N4 — CID 80646859

IUPAC2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
SMILESCC(Nc1cncc(N)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4/c1-7(9-3-2-8(13)4-10(9)14)17-12-6-16-5-11(15)18-12/h2-7H,1H3,(H3,15,17,18)
InChIKeyKRKIWRIJJWDCNI-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.54
Rot. Bonds3

About 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine

2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine (PubChem CID 80646859) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
PubChem CID80646859
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
SMILESCC(Nc1cncc(N)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4/c1-7(9-3-2-8(13)4-10(9)14)17-12-6-16-5-11(15)18-12/h2-7H,1H3,(H3,15,17,18)
InChIKeyKRKIWRIJJWDCNI-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
CID 133305089
6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 63961093
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61312514
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine (CID 80646859) is 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine is CC(Nc1cncc(N)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine?
The InChIKey is KRKIWRIJJWDCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-7(9-3-2-8(13)4-10(9)14)17-12-6-16-5-11(15)18-12/h2-7H,1H3,(H3,15,17,18).
What are the key properties of 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine?
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80646859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).