5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine

C16H19Cl2N3 — CID 23068437

IUPAC5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1cnc(-c2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-12(5-2)21-15-9-19-16(10(3)20-15)13-7-6-11(17)8-14(13)18/h6-9,12H,4-5H2,1-3H3,(H,20,21)
InChIKeyYWLVGSXCRHKZTG-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.36
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine

5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23068437) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23068437
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1cnc(-c2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-12(5-2)21-15-9-19-16(10(3)20-15)13-7-6-11(17)8-14(13)18/h6-9,12H,4-5H2,1-3H3,(H,20,21)
InChIKeyYWLVGSXCRHKZTG-UHFFFAOYSA-N
XLogP5.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
CID 90838020
5-(2,4-dichlorophenyl)-6-ethyl-3-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 22249149
5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
6-(2,4-dichlorophenyl)-4-N-heptan-3-ylpyrimidine-4,5-diamine
CID 22951024
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
8-(2,4-dichlorophenyl)-N-hexan-3-yl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10668220
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
5-chloro-2-(2,4-dichlorophenyl)-3-iodopyridine
CID 133088212

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine (CID 23068437) is 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1cnc(-c2ccc(Cl)cc2Cl)c(C)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is YWLVGSXCRHKZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-12(5-2)21-15-9-19-16(10(3)20-15)13-7-6-11(17)8-14(13)18/h6-9,12H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 324.26 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-methyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23068437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).