8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

C21H21Cl2F2N5S — CID 139427569

About 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427569) has the molecular formula C21H21Cl2F2N5S and a molecular weight of 484.40 g/mol. Its IUPAC name is 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 139427569
• Molecular Formula: C21H21Cl2F2N5S
• Molecular Weight: 484.40 g/mol
• Exact Mass: 483.09
• IUPAC Name: 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
• SMILES: NC1CC(F)(F)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
• InChI: InChI=1S/C21H21Cl2F2N5S/c22-13-2-1-3-14(17(13)23)31-15-11-28-19(30-9-6-27-18(15)30)29-7-4-20(5-8-29)12-21(24,25)10-16(20)26/h1-3,6,9,11,16H,4-5,7-8,10,12,26H2
• InChIKey: ZJBIHXIBGNHBPR-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 59.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.40
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (CID 139427569) is 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is NC1CC(F)(F)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.

What is the InChIKey of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?

The InChIKey is ZJBIHXIBGNHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F2N5S/c22-13-2-1-3-14(17(13)23)31-15-11-28-19(30-9-6-27-18(15)30)29-7-4-20(5-8-29)12-21(24,25)10-16(20)26/h1-3,6,9,11,16H,4-5,7-8,10,12,26H2.

What are the key properties of 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?

8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 484.40 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).