C177H162F3N99O16S — 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;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 (PubChem CID 161579341) has the molecular formula C177H162F3N99O16S and a molecular weight of 4021.00 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;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.
| 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;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 |
|---|---|
| PubChem CID | 161579341 |
| Molecular Formula | C177H162F3N99O16S |
| Molecular Weight | 4021.00 g/mol |
| Exact Mass | 4019.46 |
| 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;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 |
| SMILES | CC1=CC=C(O1)CNC2=NC=NC3=C2NC=N3.CC(C1=CC=CO1)NC2=NC=NC3=C2NC=N3.CC(=O)C1=CC=C(O1)CNC2=NC=NC3=C2NC=N3.C1CC(OC1)CNC2=NC=NC3=C2NC=N3.C1=CC=C(C=C1)C(C2=CC=CO2)NC3=NC=NC4=C3NC=N4.C1=COC(=C1)C(C(=O)O)NC2=NC=NC3=C2NC=N3.C1=CSC(=C1)CNC2=NC=NC3=C2NC=N3.C1=CN=CN=C1CNC2=NC=NC3=C2NC=N3.C1=CN=C(C=N1)CNC2=NC=NC3=C2NC=N3.C1=COC(=N1)CNC2=NC=NC3=C2NC=N3.C1=C(OC(=C1)CO)CNC2=NC=NC3=C2NC=N3.C1=C(OC(=C1)C#N)CNC2=NC=NC3=C2NC=N3.C1=C(OC(=C1)C(F)(F)F)CNC2=NC=NC3=C2NC=N3.C1=C(OC=N1)CNC2=NC=NC3=C2NC=N3.C1=C(N=CO1)CNC2=NC=NC3=C2NC=N3.C1=NNN=C1CNC2=NC=NC3=C2NC=N3.C1=NC2=C(N1)C(=NC=N2)NCC3=NC=NN3 |
| InChI | InChI=1S/C16H13N5O.C12H11N5O2.C11H8F3N5O.C11H8N6O.C11H9N5O3.C11H11N5O2.2C11H11N5O.2C10H9N7.C10H13N5O.C10H9N5S.3C9H8N6O.2C8H8N8/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;1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;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(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;1-2-12-7(3-11-1)4-13-9-8-10(15-5-14-8)17-6-16-9;1-2-11-4-13-7(1)3-12-9-8-10(15-5-14-8)17-6-16-9;2*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;1(5-10-4-15-16-5)9-7-6-8(12-2-11-6)14-3-13-7;1(5-2-14-16-15-5)9-7-6-8(11-3-10-6)13-4-12-7/h1-10,13H,(H2,17,18,19,20,21);2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);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,(H2,13,14,15,16,17);1-2,4-6H,3H2,(H2,12,14,15,16,17);5-7H,1-4H2,(H2,11,12,13,14,15);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);2-4H,1H2,(H,10,15,16)(H2,9,11,12,13,14);2-4H,1H2,(H,14,15,16)(H2,9,10,11,12,13) |
| InChIKey | WQRKXSZEHCPKPE-UHFFFAOYSA-N |
| XLogP | — |
| TPSA | 1580.00 Ų |
| H-Bond Donors | 38 |
| H-Bond Acceptors | 100 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 296 |
| Complexity | 4710 |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4021.00 |
| H-Bond Donors ≤ 5 | 38 |
| H-Bond Acceptors ≤ 10 | 100 |