6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine

C17H22ClN5S — CID 124167232

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine
SMILESCC1=CC(=C(C=C1)Cl)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N
InChIInChI=1S/C17H22ClN5S/c1-11-3-4-12(18)13(9-11)24-16-15(19)22-14(10-21-16)23-7-5-17(2,20)6-8-23/h3-4,9-10H,5-8,20H2,1-2H3,(H2,19,22)
InChIKeyAIPYLCFIJYKISR-UHFFFAOYSA-N
MW363.90 g/mol
LogP3.10
Rot. Bonds3

About 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine

6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine (PubChem CID 124167232) has the molecular formula C17H22ClN5S and a molecular weight of 363.90 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine
PubChem CID124167232
Molecular FormulaC17H22ClN5S
Molecular Weight363.90 g/mol
Exact Mass363.13
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine
SMILESCC1=CC(=C(C=C1)Cl)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N
InChIInChI=1S/C17H22ClN5S/c1-11-3-4-12(18)13(9-11)24-16-15(19)22-14(10-21-16)23-7-5-17(2,20)6-8-23/h3-4,9-10H,5-8,20H2,1-2H3,(H2,19,22)
InChIKeyAIPYLCFIJYKISR-UHFFFAOYSA-N
XLogP3.10
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity418

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine (CID 124167232) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine is CC1=CC(=C(C=C1)Cl)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N.
What is the InChIKey of 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine?
The InChIKey is AIPYLCFIJYKISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5S/c1-11-3-4-12(18)13(9-11)24-16-15(19)22-14(10-21-16)23-7-5-17(2,20)6-8-23/h3-4,9-10H,5-8,20H2,1-2H3,(H2,19,22).
What are the key properties of 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine?
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine has a molecular weight of 363.90 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chloro-5-methylphenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 124167232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).