6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine

C52H35Cl3F12N16O4 — CID 158927530

IUPAC6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine
SMILESCOc1ccc(Cn2cnc3c(-c4ccco4)nc(C(F)(F)F)nc32)cc1.COc1ccc(Cn2cnc3c(Cl)nc(C(F)(F)F)nc32)cc1.COc1ccc(Cn2cnc3nc(C(F)(F)F)nc(Cl)c32)cc1.FC(F)(F)c1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C18H13F3N4O2.2C14H10ClF3N4O.C6H2ClF3N4/c1-26-12-6-4-11(5-7-12)9-25-10-22-15-14(13-3-2-8-27-13)23-17(18(19,20)21)24-16(15)25;1-23-9-4-2-8(3-5-9)6-22-7-19-12-10(22)11(15)20-13(21-12)14(16,17)18;1-23-9-4-2-8(3-5-9)6-22-7-19-10-11(15)20-13(14(16,17)18)21-12(10)22;7-3-2-4(12-1-11-2)14-5(13-3)6(8,9)10/h2-8,10H,9H2,1H3;2*2-5,7H,6H2,1H3;1H,(H,11,12,13,14)
InChIKeyJIPZPQGGTIUKSK-UHFFFAOYSA-N
MW1282.29 g/mol
LogP13.30
Rot. Bonds10

About 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine

6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine (PubChem CID 158927530) has the molecular formula C52H35Cl3F12N16O4 and a molecular weight of 1282.29 g/mol. Its IUPAC name is 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine.

Molecular Properties

Compound Name6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine
PubChem CID158927530
Molecular FormulaC52H35Cl3F12N16O4
Molecular Weight1282.29 g/mol
Exact Mass1280.19
IUPAC Name6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine
SMILESCOc1ccc(Cn2cnc3c(-c4ccco4)nc(C(F)(F)F)nc32)cc1.COc1ccc(Cn2cnc3c(Cl)nc(C(F)(F)F)nc32)cc1.COc1ccc(Cn2cnc3nc(C(F)(F)F)nc(Cl)c32)cc1.FC(F)(F)c1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C18H13F3N4O2.2C14H10ClF3N4O.C6H2ClF3N4/c1-26-12-6-4-11(5-7-12)9-25-10-22-15-14(13-3-2-8-27-13)23-17(18(19,20)21)24-16(15)25;1-23-9-4-2-8(3-5-9)6-22-7-19-12-10(22)11(15)20-13(21-12)14(16,17)18;1-23-9-4-2-8(3-5-9)6-22-7-19-10-11(15)20-13(14(16,17)18)21-12(10)22;7-3-2-4(12-1-11-2)14-5(13-3)6(8,9)10/h2-8,10H,9H2,1H3;2*2-5,7H,6H2,1H3;1H,(H,11,12,13,14)
InChIKeyJIPZPQGGTIUKSK-UHFFFAOYSA-N
XLogP13.30
TPSA226.09 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.29
LogP ≤ 513.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine with MolForge

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Related Compounds

6-(2-furyl)-N,9-bis[(4-methoxyphenyl)methyl]purin-2-amine
CID 44438116
5-[2-[1-[(2-Chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;5-[7-[(3-fluorophenoxy)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)purin-2-amine;2-(furan-2-yl)-5-[4-[(2,4,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 161230924
2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9h-purine
CID 139060115
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91465518
N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-purin-6-amine;N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;2-chloro-N-(furan-2-ylmethyl)-8-isocyano-7H-purin-6-amine
CID 157376756
6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine
CID 157417408
6-chloro-9-[(4-methoxyphenyl)methyl]-2-nitropurine;6-chloro-9-[(4-methoxyphenyl)methyl]purine;2-fluoro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;6-(furan-2-yl)-9-[(4-hydroxyphenyl)methyl]-1H-purin-2-one;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-nitropurine;4-[[6-(furan-2-yl)-2-methylpurin-9-yl]methyl]phenol
CID 157599601
6-chloro-7-[(4-methoxyphenyl)methyl]purine;6-chloro-7H-purine;7-[(4-methoxyphenyl)methyl]-1-methylpurin-6-one;7-[(4-methoxyphenyl)methyl]-1H-purin-6-one;3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 157758332
5-(furan-2-yl)-2-methyl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-2-methyl-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine
CID 157960003
6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
CID 158630449
2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine
CID 158847481
2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]quinazoline
CID 158874167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine?
The IUPAC name of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine (CID 158927530) is 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine.
What is the SMILES notation for 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine?
The canonical SMILES for 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine is COc1ccc(Cn2cnc3c(-c4ccco4)nc(C(F)(F)F)nc32)cc1.COc1ccc(Cn2cnc3c(Cl)nc(C(F)(F)F)nc32)cc1.COc1ccc(Cn2cnc3nc(C(F)(F)F)nc(Cl)c32)cc1.FC(F)(F)c1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine?
The InChIKey is JIPZPQGGTIUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2.2C14H10ClF3N4O.C6H2ClF3N4/c1-26-12-6-4-11(5-7-12)9-25-10-22-15-14(13-3-2-8-27-13)23-17(18(19,20)21)24-16(15)25;1-23-9-4-2-8(3-5-9)6-22-7-19-12-10(22)11(15)20-13(21-12)14(16,17)18;1-23-9-4-2-8(3-5-9)6-22-7-19-10-11(15)20-13(14(16,17)18)21-12(10)22;7-3-2-4(12-1-11-2)14-5(13-3)6(8,9)10/h2-8,10H,9H2,1H3;2*2-5,7H,6H2,1H3;1H,(H,11,12,13,14).
What are the key properties of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine?
6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine has a molecular weight of 1282.29 g/mol, XLogP of 13.30, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine is sourced from PubChem (CID 158927530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).