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

C120H104F3N59O16 — CID 160788907

About 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

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 (PubChem CID 160788907) has the molecular formula C120H104F3N59O16 and a molecular weight of 2685.54 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160788907
• Molecular Formula: C120H104F3N59O16
• Molecular Weight: 2685.54 g/mol
• Exact Mass: 2683.91
• IUPAC Name: 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
• SMILES: 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.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1coc(CNc2ncnc3nc[nH]c23)n1.c1nc(NCc2cnco2)c2[nH]cnc2n1.c1nc(NCc2cocn2)c2[nH]cnc2n1
• InChI: InChI=1S/C16H13N5O.C11H8F3N5O.C11H8N6O.2C11H9N5O3.C11H11N5O2.2C11H11N5O.3C9H8N6O/c1-2-5-11(6-3-1)13(12-7-4-8-22-12)21-16-14-15(18-9-17-14)19-10-20-16;12-11(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(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/h1-10,13H,(H2,17,18,19,20,21);1-2,4-5H,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);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)
• InChIKey: SBOUNWDVAVNPRD-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 1033.22 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 62
• Rotatable Bonds: 37
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2685.54
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1coc(CNc2ncnc3nc[nH]c23)n1.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;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?

The InChIKey is SBOUNWDVAVNPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.C11H8F3N5O.C11H8N6O.2C11H9N5O3.C11H11N5O2.2C11H11N5O.3C9H8N6O/c1-2-5-11(6-3-1)13(12-7-4-8-22-12)21-16-14-15(18-9-17-14)19-10-20-16;12-11(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(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/h1-10,13H,(H2,17,18,19,20,21);1-2,4-5H,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);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;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?

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 has a molecular weight of 2685.54 g/mol, XLogP of 17.49, 37 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;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 is sourced from PubChem (CID 160788907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).