6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine

C17H21Cl2N5 — CID 162660903

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Cc3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-17(21)5-7-24(8-6-17)14-10-22-13(16(20)23-14)9-11-3-2-4-12(18)15(11)19/h2-4,10H,5-9,21H2,1H3,(H2,20,23)
InChIKeyQELFJGGXBSLXRE-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.27
Rot. Bonds3

About 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine (PubChem CID 162660903) has the molecular formula C17H21Cl2N5 and a molecular weight of 366.30 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine
PubChem CID162660903
Molecular FormulaC17H21Cl2N5
Molecular Weight366.30 g/mol
Exact Mass365.12
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine
SMILESCC1(N)CCN(c2cnc(Cc3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H21Cl2N5/c1-17(21)5-7-24(8-6-17)14-10-22-13(16(20)23-14)9-11-3-2-4-12(18)15(11)19/h2-4,10H,5-9,21H2,1H3,(H2,20,23)
InChIKeyQELFJGGXBSLXRE-UHFFFAOYSA-N
XLogP3.27
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine (CID 162660903) is 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine is CC1(N)CCN(c2cnc(Cc3cccc(Cl)c3Cl)c(N)n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine?
The InChIKey is QELFJGGXBSLXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5/c1-17(21)5-7-24(8-6-17)14-10-22-13(16(20)23-14)9-11-3-2-4-12(18)15(11)19/h2-4,10H,5-9,21H2,1H3,(H2,20,23).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine has a molecular weight of 366.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 162660903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).