N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine

C65H65FN26O — CID 158975908

IUPACN-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine
SMILESCOc1ccccc1Nc1ncnc2nc[nH]c12.Cc1ccc(CCNc2ncnc3nc[nH]c23)cc1.Cc1ccccc1CCNc1ncnc2nc[nH]c12.Fc1cccc(CCNc2ncnc3nc[nH]c23)c1.c1cc(CCNc2ncnc3nc[nH]c23)ccn1
InChIInChI=1S/2C14H15N5.C13H12FN5.C12H12N6.C12H11N5O/c1-10-2-4-11(5-3-10)6-7-15-13-12-14(17-8-16-12)19-9-18-13;1-10-4-2-3-5-11(10)6-7-15-13-12-14(17-8-16-12)19-9-18-13;14-10-3-1-2-9(6-10)4-5-15-12-11-13(17-7-16-11)19-8-18-12;1-4-13-5-2-9(1)3-6-14-11-10-12(16-7-15-10)18-8-17-11;1-18-9-5-3-2-4-8(9)17-12-10-11(14-6-13-10)15-7-16-12/h2*2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18,19);1-3,6-8H,4-5H2,(H2,15,16,17,18,19);1-2,4-5,7-8H,3,6H2,(H2,14,15,16,17,18);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyJOJTZZZXQBBFLW-UHFFFAOYSA-N
MW1245.41 g/mol
LogP10.29
Rot. Bonds19

About N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine

N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine (PubChem CID 158975908) has the molecular formula C65H65FN26O and a molecular weight of 1245.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine
PubChem CID158975908
Molecular FormulaC65H65FN26O
Molecular Weight1245.41 g/mol
Exact Mass1244.58
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine
SMILESCOc1ccccc1Nc1ncnc2nc[nH]c12.Cc1ccc(CCNc2ncnc3nc[nH]c23)cc1.Cc1ccccc1CCNc1ncnc2nc[nH]c12.Fc1cccc(CCNc2ncnc3nc[nH]c23)c1.c1cc(CCNc2ncnc3nc[nH]c23)ccn1
InChIInChI=1S/2C14H15N5.C13H12FN5.C12H12N6.C12H11N5O/c1-10-2-4-11(5-3-10)6-7-15-13-12-14(17-8-16-12)19-9-18-13;1-10-4-2-3-5-11(10)6-7-15-13-12-14(17-8-16-12)19-9-18-13;14-10-3-1-2-9(6-10)4-5-15-12-11-13(17-7-16-11)19-8-18-12;1-4-13-5-2-9(1)3-6-14-11-10-12(16-7-15-10)18-8-17-11;1-18-9-5-3-2-4-8(9)17-12-10-11(14-6-13-10)15-7-16-12/h2*2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18,19);1-3,6-8H,4-5H2,(H2,15,16,17,18,19);1-2,4-5,7-8H,3,6H2,(H2,14,15,16,17,18);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyJOJTZZZXQBBFLW-UHFFFAOYSA-N
XLogP10.29
TPSA354.57 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001245.41
LogP ≤ 510.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine with MolForge

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Related Compounds

9H-Purine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-, hemihydrate
CID 3052979
[1-(7H-purin-6-yl)-4-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]methanamine;[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methanamine
CID 87595830
N-(3-fluoro-4-methoxyphenyl)-3-[[11-[(5-fluoro-3-pyridinyl)amino]-3-[[11-[(6-fluoro-2-pyridinyl)amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123428579
N-[[5-(6-methylpyridin-2-yl)-4-[2-[[4-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methoxymethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 132035366
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
2-chloro-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
CID 157493840
4-N-[4-(difluoromethoxy)phenyl]-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157494669
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine (CID 158975908) is N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine is COc1ccccc1Nc1ncnc2nc[nH]c12.Cc1ccc(CCNc2ncnc3nc[nH]c23)cc1.Cc1ccccc1CCNc1ncnc2nc[nH]c12.Fc1cccc(CCNc2ncnc3nc[nH]c23)c1.c1cc(CCNc2ncnc3nc[nH]c23)ccn1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine?
The InChIKey is JOJTZZZXQBBFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H15N5.C13H12FN5.C12H12N6.C12H11N5O/c1-10-2-4-11(5-3-10)6-7-15-13-12-14(17-8-16-12)19-9-18-13;1-10-4-2-3-5-11(10)6-7-15-13-12-14(17-8-16-12)19-9-18-13;14-10-3-1-2-9(6-10)4-5-15-12-11-13(17-7-16-11)19-8-18-12;1-4-13-5-2-9(1)3-6-14-11-10-12(16-7-15-10)18-8-17-11;1-18-9-5-3-2-4-8(9)17-12-10-11(14-6-13-10)15-7-16-12/h2*2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18,19);1-3,6-8H,4-5H2,(H2,15,16,17,18,19);1-2,4-5,7-8H,3,6H2,(H2,14,15,16,17,18);2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine?
N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine has a molecular weight of 1245.41 g/mol, XLogP of 10.29, 19 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine;N-(2-methoxyphenyl)-7H-purin-6-amine;N-[2-(2-methylphenyl)ethyl]-7H-purin-6-amine;N-[2-(4-methylphenyl)ethyl]-7H-purin-6-amine;N-(2-pyridin-4-ylethyl)-7H-purin-6-amine is sourced from PubChem (CID 158975908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).