[4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine

C116H147Cl10N41O3S7 — CID 158389416

About [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine

[4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine (PubChem CID 158389416) has the molecular formula C116H147Cl10N41O3S7 and a molecular weight of 2742.73 g/mol. Its IUPAC name is [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine.

Molecular Properties

• Compound Name: [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine
• PubChem CID: 158389416
• Molecular Formula: C116H147Cl10N41O3S7
• Molecular Weight: 2742.73 g/mol
• Exact Mass: 2735.75
• IUPAC Name: [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine
• SMILES: CC1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)CCCl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3cccc(NC=O)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nnc(Sc3ccccc3Cl)c(N)n2)CC1.CNC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.Nc1cccc(Sc2ncc(N3CCC(N)(CO)CC3)nc2N)c1Cl
• InChI: InChI=1S/C19H24Cl2N6OS.C17H21Cl2N5S.C17H21ClN6OS.C17H23ClN6S.C16H21ClN6OS.C15H18Cl2N6S.C15H19ClN6S/c1-19(23)6-9-27(10-7-19)14-11-24-18(17(22)26-14)29-13-4-2-3-12(16(13)21)25-15(28)5-8-20;1-17(10-20)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(18)14(12)19;1-17(20)5-7-24(8-6-17)13-9-21-16(15(19)23-13)26-12-4-2-3-11(14(12)18)22-10-25;1-17(21-2)6-8-24(9-7-17)13-10-22-16(15(20)23-13)25-12-5-3-4-11(19)14(12)18;17-13-10(18)2-1-3-11(13)25-15-14(19)22-12(8-21-15)23-6-4-16(20,9-24)5-7-23;1-15(19)5-7-23(8-6-15)14-20-12(18)13(21-22-14)24-10-4-2-3-9(16)11(10)17;1-15(18)6-8-22(9-7-15)14-19-12(17)13(20-21-14)23-11-5-3-2-4-10(11)16/h2-4,11H,5-10,23H2,1H3,(H2,22,26)(H,25,28);2-4,9H,5-8,10,20H2,1H3,(H2,21,23);2-4,9-10H,5-8,20H2,1H3,(H2,19,23)(H,22,25);3-5,10,21H,6-9,19H2,1-2H3,(H2,20,23);1-3,8,24H,4-7,9,18,20H2,(H2,19,22);2-4H,5-8,19H2,1H3,(H2,18,20,22);2-5H,6-9,18H2,1H3,(H2,17,19,21)
• InChIKey: GWTOIEXIJMHLIY-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 709.68 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 29
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2742.73
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine?

The IUPAC name of [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine (CID 158389416) is [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine.

What is the SMILES notation for [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine?

The canonical SMILES for [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine is CC1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)CCCl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3cccc(NC=O)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2nnc(Sc3ccccc3Cl)c(N)n2)CC1.CNC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.Nc1cccc(Sc2ncc(N3CCC(N)(CO)CC3)nc2N)c1Cl.

What is the InChIKey of [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine?

The InChIKey is GWTOIEXIJMHLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N6OS.C17H21Cl2N5S.C17H21ClN6OS.C17H23ClN6S.C16H21ClN6OS.C15H18Cl2N6S.C15H19ClN6S/c1-19(23)6-9-27(10-7-19)14-11-24-18(17(22)26-14)29-13-4-2-3-12(16(13)21)25-15(28)5-8-20;1-17(10-20)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(18)14(12)19;1-17(20)5-7-24(8-6-17)13-9-21-16(15(19)23-13)26-12-4-2-3-11(14(12)18)22-10-25;1-17(21-2)6-8-24(9-7-17)13-10-22-16(15(20)23-13)25-12-5-3-4-11(19)14(12)18;17-13-10(18)2-1-3-11(13)25-15-14(19)22-12(8-21-15)23-6-4-16(20,9-24)5-7-23;1-15(19)5-7-23(8-6-15)14-20-12(18)13(21-22-14)24-10-4-2-3-9(16)11(10)17;1-15(18)6-8-22(9-7-15)14-19-12(17)13(20-21-14)23-11-5-3-2-4-10(11)16/h2-4,11H,5-10,23H2,1H3,(H2,22,26)(H,25,28);2-4,9H,5-8,10,20H2,1H3,(H2,21,23);2-4,9-10H,5-8,20H2,1H3,(H2,19,23)(H,22,25);3-5,10,21H,6-9,19H2,1-2H3,(H2,20,23);1-3,8,24H,4-7,9,18,20H2,(H2,19,22);2-4H,5-8,19H2,1H3,(H2,18,20,22);2-5H,6-9,18H2,1H3,(H2,17,19,21).

What are the key properties of [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine?

[4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine has a molecular weight of 2742.73 g/mol, XLogP of 21.14, 29 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 158389416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).