6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)

C110H81BrCl5F5N30 — CID 157359386

IUPAC6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)
SMILESBrc1ncnc2nc[nH]c12.CC(N)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1
InChIInChI=1S/4C22H16ClFN6.C17H14ClFN2.C5H3BrN4/c4*1-12(29-22-20-21(26-10-25-20)27-11-28-22)15-9-16-17(23)6-3-7-18(16)30-19(15)13-4-2-5-14(24)8-13;1-10(20)13-9-14-15(18)6-3-7-16(14)21-17(13)11-4-2-5-12(19)8-11;6-4-3-5(9-1-7-3)10-2-8-4/h4*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;1-2H,(H,7,8,9,10)/t2*12-;;;;/m10..../s1
InChIKeyBILLYRZMRJPJMY-DOFCAIOBSA-N
MW2175.23 g/mol
LogP27.96
Rot. Bonds18

About 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)

6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine) (PubChem CID 157359386) has the molecular formula C110H81BrCl5F5N30 and a molecular weight of 2175.23 g/mol. Its IUPAC name is 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine).

Molecular Properties

Compound Name6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)
PubChem CID157359386
Molecular FormulaC110H81BrCl5F5N30
Molecular Weight2175.23 g/mol
Exact Mass2170.48
IUPAC Name6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)
SMILESBrc1ncnc2nc[nH]c12.CC(N)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1
InChIInChI=1S/4C22H16ClFN6.C17H14ClFN2.C5H3BrN4/c4*1-12(29-22-20-21(26-10-25-20)27-11-28-22)15-9-16-17(23)6-3-7-18(16)30-19(15)13-4-2-5-14(24)8-13;1-10(20)13-9-14-15(18)6-3-7-16(14)21-17(13)11-4-2-5-12(19)8-11;6-4-3-5(9-1-7-3)10-2-8-4/h4*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;1-2H,(H,7,8,9,10)/t2*12-;;;;/m10..../s1
InChIKeyBILLYRZMRJPJMY-DOFCAIOBSA-N
XLogP27.96
TPSA410.89 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.23
LogP ≤ 527.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine) with MolForge

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Related Compounds

N-[[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]methyl]-9-[[6-[[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]methylamino]purin-9-yl]oxy-(2,5-dichloroquinolin-3-yl)boranyl]oxypurin-6-amine
CID 87427617
N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-8-[3-[5-chloro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinolin-3-yl]-5-fluorophenyl]-7H-purin-6-amine
CID 134185406
N-[(1S)-1-[8-chloro-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[8-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[8-chloro-1-(2-pyrrolidin-1-ylethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 157594836
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
N-[(1S)-1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine;N-[1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 158191667
N-[(1S)-1-[8-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[8-chloro-1-(2-pyrrolidin-1-ylethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 159854110
6-bromo-7H-purine;1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethanamine;N-[1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 160451292
5-bromo-3-[2-(2-chloro-6-fluorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chloro-6-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chloro-6-fluorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
CID 160828326
6-bromo-7H-purine;[8-chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinolin-3-yl]methanamine;N-[[8-chloro-2-[5-fluoro-2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]-7H-purin-6-amine
CID 160965649
5-bromo-3-[2-(2-chlorophenyl)ethynyl]pyrazin-2-amine;2-bromo-6-(2-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine;bis(6-(2-chlorophenyl)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5H-pyrrolo[2,3-b]pyrazine);3,5-dibromopyrazin-2-amine
CID 161042873
6-bromo-7H-purine;1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethanamine;N-[(1S)-1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxalin-2-yl]ethyl]-7H-purin-6-amine)
CID 161270472
6-bromo-7H-purine;(1S)-1-[8-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-3-yl]ethanamine;N-[(1S)-1-[8-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 162210112

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)?
The IUPAC name of 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine) (CID 157359386) is 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine).
What is the SMILES notation for 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)?
The canonical SMILES for 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine) is Brc1ncnc2nc[nH]c12.CC(N)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.C[C@@H](Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2c(Cl)cccc2nc1-c1cccc(F)c1.
What is the InChIKey of 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)?
The InChIKey is BILLYRZMRJPJMY-DOFCAIOBSA-N. The full InChI is InChI=1S/4C22H16ClFN6.C17H14ClFN2.C5H3BrN4/c4*1-12(29-22-20-21(26-10-25-20)27-11-28-22)15-9-16-17(23)6-3-7-18(16)30-19(15)13-4-2-5-14(24)8-13;1-10(20)13-9-14-15(18)6-3-7-16(14)21-17(13)11-4-2-5-12(19)8-11;6-4-3-5(9-1-7-3)10-2-8-4/h4*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;1-2H,(H,7,8,9,10)/t2*12-;;;;/m10..../s1.
What are the key properties of 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine)?
6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine) has a molecular weight of 2175.23 g/mol, XLogP of 27.96, 18 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7H-purine;1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanamine;N-[(1S)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;N-[(1R)-1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine;bis(N-[1-[5-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine) is sourced from PubChem (CID 157359386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).