N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine

C59H50F4N26O2S — CID 158860470

IUPACN-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine
SMILESCc1ccccc1CNc1ncnc2nc[nH]c12.FC(F)(F)c1cccc(Nc2ncnc3nc[nH]c23)c1.Fc1ccccc1Nc1ncnc2nc[nH]c12.O=C(O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1csc(CNc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C14H13N5O2.C13H13N5.C12H8F3N5.C11H8FN5.C9H8N6S/c20-14(21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12;1-9-4-2-3-5-10(9)6-14-12-11-13(16-7-15-11)18-8-17-12;13-12(14,15)7-2-1-3-8(4-7)20-11-9-10(17-5-16-9)18-6-19-11;12-7-3-1-2-4-8(7)17-11-9-10(14-5-13-9)15-6-16-11;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-4,7-8H,5-6H2,(H,20,21)(H2,15,16,17,18,19);2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-6H,(H2,16,17,18,19,20);1-6H,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H2,11,12,13,14,15)
InChIKeyJAOYPTPORXSEHR-UHFFFAOYSA-N
MW1263.29 g/mol
LogP10.75
Rot. Bonds15

About N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine

N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine (PubChem CID 158860470) has the molecular formula C59H50F4N26O2S and a molecular weight of 1263.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine
PubChem CID158860470
Molecular FormulaC59H50F4N26O2S
Molecular Weight1263.29 g/mol
Exact Mass1262.43
IUPAC NameN-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine
SMILESCc1ccccc1CNc1ncnc2nc[nH]c12.FC(F)(F)c1cccc(Nc2ncnc3nc[nH]c23)c1.Fc1ccccc1Nc1ncnc2nc[nH]c12.O=C(O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1csc(CNc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C14H13N5O2.C13H13N5.C12H8F3N5.C11H8FN5.C9H8N6S/c20-14(21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12;1-9-4-2-3-5-10(9)6-14-12-11-13(16-7-15-11)18-8-17-12;13-12(14,15)7-2-1-3-8(4-7)20-11-9-10(17-5-16-9)18-6-19-11;12-7-3-1-2-4-8(7)17-11-9-10(14-5-13-9)15-6-16-11;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-4,7-8H,5-6H2,(H,20,21)(H2,15,16,17,18,19);2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-6H,(H2,16,17,18,19,20);1-6H,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H2,11,12,13,14,15)
InChIKeyJAOYPTPORXSEHR-UHFFFAOYSA-N
XLogP10.75
TPSA382.64 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001263.29
LogP ≤ 510.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-amine;N-[2-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 88430729
5-[3-[4-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 157395394
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine;2-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-2-ylethyl)-7H-purin-6-amine;N-[2-[4-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine;N-[[2-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 157755552
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl acetate;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 157992779
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158106326
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158627313
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)-1-benzothiophen-4-yl]-N-[2-(dimethylamino)ethyl]benzamide;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]pent-4-en-1-one;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158739400
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]pent-4-en-1-one;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159250230
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]pent-4-en-1-one;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159399841
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159553811
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;2-butylsulfinyl-4-(2-methyl-1H-imidazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane
CID 159601168
5-[6-[(3-carboxy-2-bicyclo[2.2.2]octanyl)methyl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]thiophene-2-carboxylic acid;3-[[6-[5-[(dimethylamino)methyl]thiophen-2-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-methylsulfanyl-1H-imidazol-5-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 159987607

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The IUPAC name of N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine (CID 158860470) is N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The canonical SMILES for N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine is Cc1ccccc1CNc1ncnc2nc[nH]c12.FC(F)(F)c1cccc(Nc2ncnc3nc[nH]c23)c1.Fc1ccccc1Nc1ncnc2nc[nH]c12.O=C(O)c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1csc(CNc2ncnc3nc[nH]c23)n1.
What is the InChIKey of N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The InChIKey is JAOYPTPORXSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2.C13H13N5.C12H8F3N5.C11H8FN5.C9H8N6S/c20-14(21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12;1-9-4-2-3-5-10(9)6-14-12-11-13(16-7-15-11)18-8-17-12;13-12(14,15)7-2-1-3-8(4-7)20-11-9-10(17-5-16-9)18-6-19-11;12-7-3-1-2-4-8(7)17-11-9-10(14-5-13-9)15-6-16-11;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-4,7-8H,5-6H2,(H,20,21)(H2,15,16,17,18,19);2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-6H,(H2,16,17,18,19,20);1-6H,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H2,11,12,13,14,15).
What are the key properties of N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine?
N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine has a molecular weight of 1263.29 g/mol, XLogP of 10.75, 15 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-7H-purin-6-amine;N-[(2-methylphenyl)methyl]-7H-purin-6-amine;4-[2-(7H-purin-6-ylamino)ethyl]benzoic acid;N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-[3-(trifluoromethyl)phenyl]-7H-purin-6-amine is sourced from PubChem (CID 158860470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).