6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)

C117H118Cl10N24O9 — CID 158484339

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one) (PubChem CID 158484339) has the molecular formula C117H118Cl10N24O9 and a molecular weight of 2358.92 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one).

Molecular Properties

• Compound Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)
• PubChem CID: 158484339
• Molecular Formula: C117H118Cl10N24O9
• Molecular Weight: 2358.92 g/mol
• Exact Mass: 2352.64
• IUPAC Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)
• SMILES: Cc1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
• InChI: InChI=1S/C25H26Cl2N4O.4C23H23Cl2N5O2/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28;4*1-13-21(28-14(2)30(22(13)31)17-5-3-4-16(24)19(17)25)29-10-7-23(8-11-29)20(26)15-6-9-27-12-18(15)32-23/h3-9,22H,10-14,28H2,1-2H3;4*3-6,9,12,20H,7-8,10-11,26H2,1-2H3/t22-;4*20-/m11100/s1
• InChIKey: HHXFROSKIWAYGZ-LEDIITAXSA-N
• XLogP: 20.93
• TPSA: 409.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 10
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.92
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)?

The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one) (CID 158484339) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one).

What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)?

The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one) is Cc1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.Cc1c(N2CCC3(CC2)Oc2cnccc2[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.

What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)?

The InChIKey is HHXFROSKIWAYGZ-LEDIITAXSA-N. The full InChI is InChI=1S/C25H26Cl2N4O.4C23H23Cl2N5O2/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28;4*1-13-21(28-14(2)30(22(13)31)17-5-3-4-16(24)19(17)25)29-10-7-23(8-11-29)20(26)15-6-9-27-12-18(15)32-23/h3-9,22H,10-14,28H2,1-2H3;4*3-6,9,12,20H,7-8,10-11,26H2,1-2H3/t22-;4*20-/m11100/s1.

What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)?

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one) has a molecular weight of 2358.92 g/mol, XLogP of 20.93, 10 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one) is sourced from PubChem (CID 158484339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).