2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile

C25H23Cl2N5 — CID 156806027

IUPAC2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
SMILESCc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)nc(C#N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H23Cl2N5/c1-15-22(17-6-4-8-19(26)23(17)27)20(14-28)31-24(30-15)32-11-9-25(10-12-32)18-7-3-2-5-16(18)13-21(25)29/h2-8,21H,9-13,29H2,1H3/t21-/m1/s1
InChIKeyCNHQENBLZFHGMM-OAQYLSRUSA-N
MW464.40 g/mol
LogP5.05
Rot. Bonds2

About 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile

2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile (PubChem CID 156806027) has the molecular formula C25H23Cl2N5 and a molecular weight of 464.40 g/mol. Its IUPAC name is 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
PubChem CID156806027
Molecular FormulaC25H23Cl2N5
Molecular Weight464.40 g/mol
Exact Mass463.13
IUPAC Name2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
SMILESCc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)nc(C#N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H23Cl2N5/c1-15-22(17-6-4-8-19(26)23(17)27)20(14-28)31-24(30-15)32-11-9-25(10-12-32)18-7-3-2-5-16(18)13-21(25)29/h2-8,21H,9-13,29H2,1H3/t21-/m1/s1
InChIKeyCNHQENBLZFHGMM-OAQYLSRUSA-N
XLogP5.05
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenyl)-6-methyl-2-(3-oxospiro[1H-indene-2,4'-piperidine]-1'-yl)pyrimidine-4-carbonitrile
CID 155089463
2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 156805975
2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 155089411
tert-butyl N-[(6R)-1'-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-yl]carbamate
CID 156805976
tert-butyl N-[1-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 155089509
(R)-N-[1'-[4-cyano-5-(2,3-dichlorophenyl)-6-methylpyrimidin-2-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
CID 155612803
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
tert-butyl 2-[1-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]acetate
CID 158451234
2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089597
6-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,3-dichlorophenyl)-4,5-dimethylpyridine-2-carbonitrile
CID 166658441
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805770
[1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate
CID 166652981

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile (CID 156806027) is 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile is Cc1nc(N2CCC3(CC2)c2ccccc2C[C@H]3N)nc(C#N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is CNHQENBLZFHGMM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23Cl2N5/c1-15-22(17-6-4-8-19(26)23(17)27)20(14-28)31-24(30-15)32-11-9-25(10-12-32)18-7-3-2-5-16(18)13-21(25)29/h2-8,21H,9-13,29H2,1H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile?
2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 464.40 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 156806027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).