(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H24Cl2N6S — CID 149460133

About (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 149460133) has the molecular formula C25H24Cl2N6S and a molecular weight of 511.48 g/mol. Its IUPAC name is (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 149460133
• Molecular Formula: C25H24Cl2N6S
• Molecular Weight: 511.48 g/mol
• Exact Mass: 510.12
• IUPAC Name: (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl
• InChI: InChI=1S/C25H24Cl2N6S/c26-17-6-3-7-18(19(17)27)34-20-22(29)31-24(33-13-10-30-23(20)33)32-11-8-25(9-12-32)14-15-4-1-2-5-16(15)21(25)28/h1-7,10,13,21H,8-9,11-12,14,28-29H2/t21-/m1/s1
• InChIKey: YZIRDEUYDYUXNG-OAQYLSRUSA-N
• XLogP: 5.61
• TPSA: 85.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.48
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 149460133) is (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n2ccnc2c1Sc1cccc(Cl)c1Cl.

What is the InChIKey of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is YZIRDEUYDYUXNG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24Cl2N6S/c26-17-6-3-7-18(19(17)27)34-20-22(29)31-24(33-13-10-30-23(20)33)32-11-8-25(9-12-32)14-15-4-1-2-5-16(15)21(25)28/h1-7,10,13,21H,8-9,11-12,14,28-29H2/t21-/m1/s1.

What are the key properties of (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 511.48 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[7-amino-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 149460133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).