[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine

C80H106Cl6FN33O2S5 — CID 162081246

About [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine

[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine (PubChem CID 162081246) has the molecular formula C80H106Cl6FN33O2S5 and a molecular weight of 1954.01 g/mol. Its IUPAC name is [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine
• PubChem CID: 162081246
• Molecular Formula: C80H106Cl6FN33O2S5
• Molecular Weight: 1954.01 g/mol
• Exact Mass: 1949.59
• IUPAC Name: [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine
• SMILES: CC1(CN)CCN(c2cnc(Sc3cc(N)nc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccncc3F)c(N)n2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(Cl)c1Cl.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C18H26ClN7S.C16H21Cl2N7S.C16H21FN6S.C15H18Cl2N6OS.C15H20ClN7OS/c1-2-4-18(11-20)5-8-26(9-6-18)13-10-24-17(16(22)25-13)27-12-3-7-23-15(21)14(12)19;1-16(8-19)2-4-25(5-3-16)11-7-22-15(14(21)24-11)26-9-6-10(20)23-13(18)12(9)17;1-16(10-18)3-6-23(7-4-16)13-9-21-15(14(19)22-13)24-12-2-5-20-8-11(12)17;2*16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h3,7,10H,2,4-6,8-9,11,20H2,1H3,(H2,21,23)(H2,22,25);6-7H,2-5,8,19H2,1H3,(H2,20,23)(H2,21,24);2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,22);1,4,7,24H,2-3,5-6,8,19H2,(H2,18,22);1,4,7,24H,2-3,5-6,8,19H2,(H2,17,20)(H2,18,22)
• InChIKey: ZCJIZBZUWKYQQC-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 588.27 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.01
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?

The IUPAC name of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine (CID 162081246) is [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine.

What is the SMILES notation for [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?

The canonical SMILES for [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3cc(N)nc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccncc3F)c(N)n2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(Cl)c1Cl.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1ccnc(N)c1Cl.

What is the InChIKey of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?

The InChIKey is ZCJIZBZUWKYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN7S.C16H21Cl2N7S.C16H21FN6S.C15H18Cl2N6OS.C15H20ClN7OS/c1-2-4-18(11-20)5-8-26(9-6-18)13-10-24-17(16(22)25-13)27-12-3-7-23-15(21)14(12)19;1-16(8-19)2-4-25(5-3-16)11-7-22-15(14(21)24-11)26-9-6-10(20)23-13(18)12(9)17;1-16(10-18)3-6-23(7-4-16)13-9-21-15(14(19)22-13)24-12-2-5-20-8-11(12)17;2*16-11-9(1-4-20-12(11)17)25-14-13(18)22-10(7-21-14)23-5-2-15(19,8-24)3-6-23/h3,7,10H,2,4-6,8-9,11,20H2,1H3,(H2,21,23)(H2,22,25);6-7H,2-5,8,19H2,1H3,(H2,20,23)(H2,21,24);2,5,8-9H,3-4,6-7,10,18H2,1H3,(H2,19,22);1,4,7,24H,2-3,5-6,8,19H2,(H2,18,22);1,4,7,24H,2-3,5-6,8,19H2,(H2,17,20)(H2,18,22).

What are the key properties of [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine?

[4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine has a molecular weight of 1954.01 g/mol, XLogP of 11.89, 22 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-1-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;3-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 162081246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).