N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine

C114H100F3N59O15S — CID 157256192

IUPACN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1ccco1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.FC(F)(F)c1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.O=C(O)C(Nc1ncnc2nc[nH]c12)c1ccco1.O=C(O)c1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1.c1coc(CNc2ncnc3nc[nH]c23)n1.c1csc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1
InChIInChI=1S/C11H8F3N5O.C11H8N6O.2C11H9N5O3.C11H11N5O2.2C11H11N5O.C10H9N5S.3C9H8N6O/c12-11(13,14)7-2-1-6(20-7)3-15-9-8-10(17-4-16-8)19-5-18-9;12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10;17-11(18)7-2-1-6(19-7)3-12-9-8-10(14-4-13-8)16-5-15-9;17-11(18)7(6-2-1-3-19-6)16-10-8-9(13-4-12-8)14-5-15-10;17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10;1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1(6-2-16-5-15-6)10-8-7-9(12-3-11-7)14-4-13-8;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H,17,18)(H2,12,13,14,15,16);1-5,7H,(H,17,18)(H2,12,13,14,15,16);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,11,12,13,14,15);2-5H,1H2,(H2,10,11,12,13,14);1,3-5H,2H2,(H2,11,12,13,14,15);1-2,4-5H,3H2,(H2,11,12,13,14,15)
InChIKeyAWXOZJDMRMUMDL-UHFFFAOYSA-N
MW2625.51 g/mol
LogP16.37
Rot. Bonds36

About N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine

N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine (PubChem CID 157256192) has the molecular formula C114H100F3N59O15S and a molecular weight of 2625.51 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
PubChem CID157256192
Molecular FormulaC114H100F3N59O15S
Molecular Weight2625.51 g/mol
Exact Mass2623.85
IUPAC NameN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1ccco1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.FC(F)(F)c1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.O=C(O)C(Nc1ncnc2nc[nH]c12)c1ccco1.O=C(O)c1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1.c1coc(CNc2ncnc3nc[nH]c23)n1.c1csc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1
InChIInChI=1S/C11H8F3N5O.C11H8N6O.2C11H9N5O3.C11H11N5O2.2C11H11N5O.C10H9N5S.3C9H8N6O/c12-11(13,14)7-2-1-6(20-7)3-15-9-8-10(17-4-16-8)19-5-18-9;12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10;17-11(18)7-2-1-6(19-7)3-12-9-8-10(14-4-13-8)16-5-15-9;17-11(18)7(6-2-1-3-19-6)16-10-8-9(13-4-12-8)14-5-15-10;17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10;1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1(6-2-16-5-15-6)10-8-7-9(12-3-11-7)14-4-13-8;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H,17,18)(H2,12,13,14,15,16);1-5,7H,(H,17,18)(H2,12,13,14,15,16);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,11,12,13,14,15);2-5H,1H2,(H2,10,11,12,13,14);1,3-5H,2H2,(H2,11,12,13,14,15);1-2,4-5H,3H2,(H2,11,12,13,14,15)
InChIKeyAWXOZJDMRMUMDL-UHFFFAOYSA-N
XLogP16.37
TPSA1020.08 Ų
H-Bond Donors25
H-Bond Acceptors62
Rotatable Bonds36
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002625.51
LogP ≤ 516.37
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1062

Analyze N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 157980747
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 158679603
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 160788907
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 161579341
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
CID 157144390
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;tris(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
CID 158414143

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine (CID 157256192) is N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1ccco1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.FC(F)(F)c1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.O=C(O)C(Nc1ncnc2nc[nH]c12)c1ccco1.O=C(O)c1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1.c1coc(CNc2ncnc3nc[nH]c23)n1.c1csc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
The InChIKey is AWXOZJDMRMUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5O.C11H8N6O.2C11H9N5O3.C11H11N5O2.2C11H11N5O.C10H9N5S.3C9H8N6O/c12-11(13,14)7-2-1-6(20-7)3-15-9-8-10(17-4-16-8)19-5-18-9;12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10;17-11(18)7-2-1-6(19-7)3-12-9-8-10(14-4-13-8)16-5-15-9;17-11(18)7(6-2-1-3-19-6)16-10-8-9(13-4-12-8)14-5-15-10;17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10;1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1(6-2-16-5-15-6)10-8-7-9(12-3-11-7)14-4-13-8;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H,17,18)(H2,12,13,14,15,16);1-5,7H,(H,17,18)(H2,12,13,14,15,16);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,11,12,13,14,15);2-5H,1H2,(H2,10,11,12,13,14);1,3-5H,2H2,(H2,11,12,13,14,15);1-2,4-5H,3H2,(H2,11,12,13,14,15).
What are the key properties of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine?
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine has a molecular weight of 2625.51 g/mol, XLogP of 16.37, 36 rotatable bonds, 25 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 157256192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).