6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol

C25H28Cl2N4O — CID 155204032

IUPAC6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol
SMILESCC1=NC(N2CCC3(CC2)Cc2ccccc2[C@@H]3N)=C(C)C(O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C25H28Cl2N4O/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/h3-9,22,24,32H,10-14,28H2,1-2H3/t22-,24?/m0/s1
InChIKeyCZXFVQSYADALGK-OWJIYDKWSA-N
MW471.43 g/mol
LogP5.12
Rot. Bonds2

About 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol

6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol (PubChem CID 155204032) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol.

Molecular Properties

Compound Name6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol
PubChem CID155204032
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC Name6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol
SMILESCC1=NC(N2CCC3(CC2)Cc2ccccc2[C@@H]3N)=C(C)C(O)N1c1cccc(Cl)c1Cl
InChIInChI=1S/C25H28Cl2N4O/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/h3-9,22,24,32H,10-14,28H2,1-2H3/t22-,24?/m0/s1
InChIKeyCZXFVQSYADALGK-OWJIYDKWSA-N
XLogP5.12
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100667
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100553
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
(1S)-1'-[8-(2,3-dichlorophenyl)-7-ethylpurin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100683
(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100536
1-[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]ethanone
CID 166885448
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
(1S)-1'-[7-amino-8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 164743655
(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164169

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol?
The IUPAC name of 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol (CID 155204032) is 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol.
What is the SMILES notation for 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol?
The canonical SMILES for 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol is CC1=NC(N2CCC3(CC2)Cc2ccccc2[C@@H]3N)=C(C)C(O)N1c1cccc(Cl)c1Cl.
What is the InChIKey of 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol?
The InChIKey is CZXFVQSYADALGK-OWJIYDKWSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/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/h3-9,22,24,32H,10-14,28H2,1-2H3/t22-,24?/m0/s1.
What are the key properties of 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol?
6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol has a molecular weight of 471.43 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol is sourced from PubChem (CID 155204032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).