2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine

C13H15ClN4 — CID 80802030

IUPAC2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-9(10-5-3-4-6-11(10)14)17-13-8-16-7-12(15-2)18-13/h3-9H,1-2H3,(H2,15,17,18)
InChIKeySKJCJGDZKJLBLK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.34
Rot. Bonds4

About 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine

2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80802030) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80802030
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-9(10-5-3-4-6-11(10)14)17-13-8-16-7-12(15-2)18-13/h3-9H,1-2H3,(H2,15,17,18)
InChIKeySKJCJGDZKJLBLK-UHFFFAOYSA-N
XLogP3.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62483636
6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
CID 133305089
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80783338
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine (CID 80802030) is 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is SKJCJGDZKJLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9(10-5-3-4-6-11(10)14)17-13-8-16-7-12(15-2)18-13/h3-9H,1-2H3,(H2,15,17,18).
What are the key properties of 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80802030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).