2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one

C23H22Cl2N4O — CID 155709884

IUPAC2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2C3)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H22Cl2N4O/c24-17-6-3-7-18(21(17)25)29-20(30)12-19(27-22(29)26)28-10-8-23(9-11-28)13-15-4-1-2-5-16(15)14-23/h1-7,12H,8-11,13-14H2,(H2,26,27)
InChIKeyPRSDQLDEMCQXQX-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.51
Rot. Bonds2

About 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one

2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one (PubChem CID 155709884) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one
PubChem CID155709884
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC Name2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one
SMILESNc1nc(N2CCC3(CC2)Cc2ccccc2C3)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H22Cl2N4O/c24-17-6-3-7-18(21(17)25)29-20(30)12-19(27-22(29)26)28-10-8-23(9-11-28)13-15-4-1-2-5-16(15)14-23/h1-7,12H,8-11,13-14H2,(H2,26,27)
InChIKeyPRSDQLDEMCQXQX-UHFFFAOYSA-N
XLogP4.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 158026583
2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one
CID 155165181
[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl] carbamate
CID 175117123
3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
CID 155165313
3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
CID 166933352
[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 146345882
3-(2-bromo-3-chlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 153403402
(R)-N-[(1S)-6-bromo-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170551994
6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
CID 155401025
1-[(1S)-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171768826
2-[4-(2-chlorophenyl)piperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 141363668
6-[(1S)-1-amino-6-ethynylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-methylpyrimidin-4-one
CID 171454890

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one?
The IUPAC name of 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one (CID 155709884) is 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one is Nc1nc(N2CCC3(CC2)Cc2ccccc2C3)cc(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one?
The InChIKey is PRSDQLDEMCQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c24-17-6-3-7-18(21(17)25)29-20(30)12-19(27-22(29)26)28-10-8-23(9-11-28)13-15-4-1-2-5-16(15)14-23/h1-7,12H,8-11,13-14H2,(H2,26,27).
What are the key properties of 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one?
2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one has a molecular weight of 441.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one is sourced from PubChem (CID 155709884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).