8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C19H21Cl2N7OS — CID 155408437

About 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 155408437) has the molecular formula C19H21Cl2N7OS and a molecular weight of 466.40 g/mol. Its IUPAC name is 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 155408437
• Molecular Formula: C19H21Cl2N7OS
• Molecular Weight: 466.40 g/mol
• Exact Mass: 465.09
• IUPAC Name: 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: Nc1cc(Sc2cnc(N3CCC4(CC3)COCC4N)n3ccnc23)c(Cl)c(Cl)n1
• InChI: InChI=1S/C19H21Cl2N7OS/c20-15-11(7-14(23)26-16(15)21)30-12-8-25-18(28-6-3-24-17(12)28)27-4-1-19(2-5-27)10-29-9-13(19)22/h3,6-8,13H,1-2,4-5,9-10,22H2,(H2,23,26)
• InChIKey: PNWZRPFWBGHUQJ-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 107.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 155408437) is 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is Nc1cc(Sc2cnc(N3CCC4(CC3)COCC4N)n3ccnc23)c(Cl)c(Cl)n1.

What is the InChIKey of 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is PNWZRPFWBGHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N7OS/c20-15-11(7-14(23)26-16(15)21)30-12-8-25-18(28-6-3-24-17(12)28)27-4-1-19(2-5-27)10-29-9-13(19)22/h3,6-8,13H,1-2,4-5,9-10,22H2,(H2,23,26).

What are the key properties of 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?

8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 466.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 155408437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).