(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine

C27H31Cl3N12S2 — CID 157178610

About (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine (PubChem CID 157178610) has the molecular formula C27H31Cl3N12S2 and a molecular weight of 694.12 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine.

Molecular Properties

• Compound Name: (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine
• PubChem CID: 157178610
• Molecular Formula: C27H31Cl3N12S2
• Molecular Weight: 694.12 g/mol
• Exact Mass: 692.13
• IUPAC Name: (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine
• SMILES: Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C18H24ClN7S.C9H7Cl2N5S/c19-14-11(3-7-23-15(14)21)27-17-16(22)25-13(10-24-17)26-8-5-18(6-9-26)4-1-2-12(18)20;10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11/h3,7,10,12H,1-2,4-6,8-9,20H2,(H2,21,23)(H2,22,25);1-3H,(H2,12,14)(H2,13,16)/t12-;/m1./s1
• InChIKey: AOHSFKDCLUFCKX-UTONKHPSSA-N
• XLogP: 5.43
• TPSA: 210.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	694.12
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?

The IUPAC name of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine (CID 157178610) is (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine.

What is the SMILES notation for (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?

The canonical SMILES for (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine is Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl.

What is the InChIKey of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?

The InChIKey is AOHSFKDCLUFCKX-UTONKHPSSA-N. The full InChI is InChI=1S/C18H24ClN7S.C9H7Cl2N5S/c19-14-11(3-7-23-15(14)21)27-17-16(22)25-13(10-24-17)26-8-5-18(6-9-26)4-1-2-12(18)20;10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11/h3,7,10,12H,1-2,4-6,8-9,20H2,(H2,21,23)(H2,22,25);1-3H,(H2,12,14)(H2,13,16)/t12-;/m1./s1.

What are the key properties of (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine has a molecular weight of 694.12 g/mol, XLogP of 5.43, 5 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine is sourced from PubChem (CID 157178610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).