N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine

C108H104Cl3F7N42O — CID 160979554

IUPACN-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine
SMILESCOc1cccc(CNc2nc(F)nc3c2ncn3C)c1.Cc1ccc(CNc2nc(F)nc3c2ncn3C)c(C)c1.Cc1cccc(C)c1CNc1nc(F)nc2c1ncn2C.Cn1cnc2c(NCc3ccc(Cl)cc3Cl)nc(F)nc21.Cn1cnc2c(NCc3cccc(Cl)c3)nc(F)nc21.Cn1cnc2c(NCc3ccccc3)nc(N)nc21.Cn1cnc2c(NCc3cccnc3)nc(F)nc21.Cn1ncc2c(NCc3ccccc3)nc(F)nc21
InChIInChI=1S/2C15H16FN5.C14H14FN5O.C13H10Cl2FN5.C13H11ClFN5.C13H12FN5.C13H14N6.C12H11FN6/c1-9-4-5-11(10(2)6-9)7-17-13-12-14(20-15(16)19-13)21(3)8-18-12;1-9-5-4-6-10(2)11(9)7-17-13-12-14(20-15(16)19-13)21(3)8-18-12;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-4-3-5-10(6-9)21-2;1-21-6-18-10-11(19-13(16)20-12(10)21)17-5-7-2-3-8(14)4-9(7)15;1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8;1-19-12-10(8-16-19)11(17-13(14)18-12)15-7-9-5-3-2-4-6-9;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8/h2*4-6,8H,7H2,1-3H3,(H,17,19,20);3-6,8H,7H2,1-2H3,(H,16,18,19);2-4,6H,5H2,1H3,(H,17,19,20);2-5,7H,6H2,1H3,(H,16,18,19);2-6,8H,7H2,1H3,(H,15,17,18);2-6,8H,7H2,1H3,(H3,14,15,17,18);2-5,7H,6H2,1H3,(H,15,17,18)
InChIKeySZIGJJVYGXMZJP-UHFFFAOYSA-N
MW2245.66 g/mol
LogP18.96
Rot. Bonds25

About N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine

N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine (PubChem CID 160979554) has the molecular formula C108H104Cl3F7N42O and a molecular weight of 2245.66 g/mol. Its IUPAC name is N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine.

Molecular Properties

Compound NameN-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine
PubChem CID160979554
Molecular FormulaC108H104Cl3F7N42O
Molecular Weight2245.66 g/mol
Exact Mass2242.83
IUPAC NameN-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine
SMILESCOc1cccc(CNc2nc(F)nc3c2ncn3C)c1.Cc1ccc(CNc2nc(F)nc3c2ncn3C)c(C)c1.Cc1cccc(C)c1CNc1nc(F)nc2c1ncn2C.Cn1cnc2c(NCc3ccc(Cl)cc3Cl)nc(F)nc21.Cn1cnc2c(NCc3cccc(Cl)c3)nc(F)nc21.Cn1cnc2c(NCc3ccccc3)nc(N)nc21.Cn1cnc2c(NCc3cccnc3)nc(F)nc21.Cn1ncc2c(NCc3ccccc3)nc(F)nc21
InChIInChI=1S/2C15H16FN5.C14H14FN5O.C13H10Cl2FN5.C13H11ClFN5.C13H12FN5.C13H14N6.C12H11FN6/c1-9-4-5-11(10(2)6-9)7-17-13-12-14(20-15(16)19-13)21(3)8-18-12;1-9-5-4-6-10(2)11(9)7-17-13-12-14(20-15(16)19-13)21(3)8-18-12;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-4-3-5-10(6-9)21-2;1-21-6-18-10-11(19-13(16)20-12(10)21)17-5-7-2-3-8(14)4-9(7)15;1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8;1-19-12-10(8-16-19)11(17-13(14)18-12)15-7-9-5-3-2-4-6-9;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8/h2*4-6,8H,7H2,1-3H3,(H,17,19,20);3-6,8H,7H2,1-2H3,(H,16,18,19);2-4,6H,5H2,1H3,(H,17,19,20);2-5,7H,6H2,1H3,(H,16,18,19);2-6,8H,7H2,1H3,(H,15,17,18);2-6,8H,7H2,1H3,(H3,14,15,17,18);2-5,7H,6H2,1H3,(H,15,17,18)
InChIKeySZIGJJVYGXMZJP-UHFFFAOYSA-N
XLogP18.96
TPSA493.18 Ų
H-Bond Donors9
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002245.66
LogP ≤ 518.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1043

Analyze N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The IUPAC name of N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine (CID 160979554) is N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine.
What is the SMILES notation for N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The canonical SMILES for N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine is COc1cccc(CNc2nc(F)nc3c2ncn3C)c1.Cc1ccc(CNc2nc(F)nc3c2ncn3C)c(C)c1.Cc1cccc(C)c1CNc1nc(F)nc2c1ncn2C.Cn1cnc2c(NCc3ccc(Cl)cc3Cl)nc(F)nc21.Cn1cnc2c(NCc3cccc(Cl)c3)nc(F)nc21.Cn1cnc2c(NCc3ccccc3)nc(N)nc21.Cn1cnc2c(NCc3cccnc3)nc(F)nc21.Cn1ncc2c(NCc3ccccc3)nc(F)nc21.
What is the InChIKey of N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The InChIKey is SZIGJJVYGXMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16FN5.C14H14FN5O.C13H10Cl2FN5.C13H11ClFN5.C13H12FN5.C13H14N6.C12H11FN6/c1-9-4-5-11(10(2)6-9)7-17-13-12-14(20-15(16)19-13)21(3)8-18-12;1-9-5-4-6-10(2)11(9)7-17-13-12-14(20-15(16)19-13)21(3)8-18-12;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-4-3-5-10(6-9)21-2;1-21-6-18-10-11(19-13(16)20-12(10)21)17-5-7-2-3-8(14)4-9(7)15;1-20-7-17-10-11(18-13(15)19-12(10)20)16-6-8-3-2-4-9(14)5-8;1-19-12-10(8-16-19)11(17-13(14)18-12)15-7-9-5-3-2-4-6-9;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8/h2*4-6,8H,7H2,1-3H3,(H,17,19,20);3-6,8H,7H2,1-2H3,(H,16,18,19);2-4,6H,5H2,1H3,(H,17,19,20);2-5,7H,6H2,1H3,(H,16,18,19);2-6,8H,7H2,1H3,(H,15,17,18);2-6,8H,7H2,1H3,(H3,14,15,17,18);2-5,7H,6H2,1H3,(H,15,17,18).
What are the key properties of N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine has a molecular weight of 2245.66 g/mol, XLogP of 18.96, 25 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-[(3-chlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dichlorophenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,4-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;N-[(2,6-dimethylphenyl)methyl]-2-fluoro-9-methylpurin-6-amine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine is sourced from PubChem (CID 160979554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).