4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine

C107H143Cl6N31S6 — CID 158411958

About 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine

4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine (PubChem CID 158411958) has the molecular formula C107H143Cl6N31S6 and a molecular weight of 2268.66 g/mol. Its IUPAC name is 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine.

Molecular Properties

• Compound Name: 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine
• PubChem CID: 158411958
• Molecular Formula: C107H143Cl6N31S6
• Molecular Weight: 2268.66 g/mol
• Exact Mass: 2263.86
• IUPAC Name: 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine
• SMILES: CC(C)CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC1(C)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCC1(C(C)C)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CCCC1(CC)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1
• InChI: InChI=1S/C19H27ClN6S.2C19H26ClN5S.C18H23ClN4S.C16H21ClN6S.C16H20ClN5S/c1-13(2)9-19(12-21)4-7-26(8-5-19)15-10-25-16(11-24-15)27-14-3-6-23-18(22)17(14)20;1-4-19(13(2)3)6-9-25(10-7-19)15-11-24-16(12-23-15)26-14-5-8-22-18(21)17(14)20;1-3-6-19(4-2)7-10-25(11-8-19)15-12-24-16(13-23-15)26-14-5-9-22-18(21)17(14)20;1-3-18(2)7-9-23(10-8-18)15-11-22-16(12-21-15)24-14-6-4-5-13(20)17(14)19;1-16(10-18)3-6-23(7-4-16)12-8-22-13(9-21-12)24-11-2-5-20-15(19)14(11)17;1-16(2)4-7-22(8-5-16)12-9-21-13(10-20-12)23-11-3-6-19-15(18)14(11)17/h3,6,10-11,13H,4-5,7-9,12,21H2,1-2H3,(H2,22,23);5,8,11-13H,4,6-7,9-10H2,1-3H3,(H2,21,22);5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H2,21,22);4-6,11-12H,3,7-10,20H2,1-2H3;2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,20);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,18,19)
• InChIKey: GZKOZXGOWWVSJT-UHFFFAOYSA-N
• XLogP: 25.40
• TPSA: 446.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.66
LogP ≤ 5	25.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine?

The IUPAC name of 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine (CID 158411958) is 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine.

What is the SMILES notation for 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine?

The canonical SMILES for 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine is CC(C)CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC1(C)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCC1(C(C)C)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CCCC1(CC)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.

What is the InChIKey of 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine?

The InChIKey is GZKOZXGOWWVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6S.2C19H26ClN5S.C18H23ClN4S.C16H21ClN6S.C16H20ClN5S/c1-13(2)9-19(12-21)4-7-26(8-5-19)15-10-25-16(11-24-15)27-14-3-6-23-18(22)17(14)20;1-4-19(13(2)3)6-9-25(10-7-19)15-11-24-16(12-23-15)26-14-5-8-22-18(21)17(14)20;1-3-6-19(4-2)7-10-25(11-8-19)15-12-24-16(13-23-15)26-14-5-9-22-18(21)17(14)20;1-3-18(2)7-9-23(10-8-18)15-11-22-16(12-21-15)24-14-6-4-5-13(20)17(14)19;1-16(10-18)3-6-23(7-4-16)12-8-22-13(9-21-12)24-11-2-5-20-15(19)14(11)17;1-16(2)4-7-22(8-5-16)12-9-21-13(10-20-12)23-11-3-6-19-15(18)14(11)17/h3,6,10-11,13H,4-5,7-9,12,21H2,1-2H3,(H2,22,23);5,8,11-13H,4,6-7,9-10H2,1-3H3,(H2,21,22);5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H2,21,22);4-6,11-12H,3,7-10,20H2,1-2H3;2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,20);3,6,9-10H,4-5,7-8H2,1-2H3,(H2,18,19).

What are the key properties of 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine?

4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine has a molecular weight of 2268.66 g/mol, XLogP of 25.40, 28 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 158411958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).