N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
C55H51F3N26O4 — CID 159984627
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
SMILESC1=Cc2ncnc(NCc3ccco3)c2C1.CNc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1noc(CNc2ncnc3nc[nH]c23)n1.Cn1cnc2c(NCc3ccco3)ncnc21.FC(F)(F)c1ccccc1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H8F3N5.C12H11N3O.C11H12N6O.C11H11N5O.C9H9N7O/c13-12(14,15)7-3-1-2-4-8(7)20-11-9-10(17-5-16-9)18-6-19-11;1-4-10-11(5-1)14-8-15-12(10)13-7-9-3-2-6-16-9;1-12-11-16-9(8-10(17-11)15-6-14-8)13-5-7-3-2-4-18-7;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;1-5-15-6(17-16-5)2-10-8-7-9(12-3-11-7)14-4-13-8/h1-6H,(H2,16,17,18,19,20);1-3,5-6,8H,4,7H2,(H,13,14,15);2-4,6H,5H2,1H3,(H3,12,13,14,15,16,17);2-4,6-7H,5H2,1H3,(H,12,13,14);3-4H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyOGEFVVOXVUIDBS-UHFFFAOYSA-N
MW1197.18 g/mol
LogP9.19
Rot. Bonds15
About N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine (PubChem CID 159984627) has the molecular formula C55H51F3N26O4 and a molecular weight of 1197.18 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine.
Molecular Properties
| Compound Name | N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine |
|---|---|
| PubChem CID | 159984627 |
| Molecular Formula | C55H51F3N26O4 |
| Molecular Weight | 1197.18 g/mol |
| Exact Mass | 1196.45 |
| IUPAC Name | N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine |
| SMILES | C1=Cc2ncnc(NCc3ccco3)c2C1.CNc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1noc(CNc2ncnc3nc[nH]c23)n1.Cn1cnc2c(NCc3ccco3)ncnc21.FC(F)(F)c1ccccc1Nc1ncnc2nc[nH]c12 |
| InChI | InChI=1S/C12H8F3N5.C12H11N3O.C11H12N6O.C11H11N5O.C9H9N7O/c13-12(14,15)7-3-1-2-4-8(7)20-11-9-10(17-5-16-9)18-6-19-11;1-4-10-11(5-1)14-8-15-12(10)13-7-9-3-2-6-16-9;1-12-11-16-9(8-10(17-11)15-6-14-8)13-5-7-3-2-4-18-7;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;1-5-15-6(17-16-5)2-10-8-7-9(12-3-11-7)14-4-13-8/h1-6H,(H2,16,17,18,19,20);1-3,5-6,8H,4,7H2,(H,13,14,15);2-4,6H,5H2,1H3,(H3,12,13,14,15,16,17);2-4,6-7H,5H2,1H3,(H,12,13,14);3-4H,2H2,1H3,(H2,10,11,12,13,14) |
| InChIKey | OGEFVVOXVUIDBS-UHFFFAOYSA-N |
| XLogP | 9.19 |
| TPSA | 383.28 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 88 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1197.18 |
| LogP ≤ 5 | 9.19 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 27 |
Frequently Asked Questions
What is the IUPAC name of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine (CID 159984627) is N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine is C1=Cc2ncnc(NCc3ccco3)c2C1.CNc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1noc(CNc2ncnc3nc[nH]c23)n1.Cn1cnc2c(NCc3ccco3)ncnc21.FC(F)(F)c1ccccc1Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The InChIKey is OGEFVVOXVUIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5.C12H11N3O.C11H12N6O.C11H11N5O.C9H9N7O/c13-12(14,15)7-3-1-2-4-8(7)20-11-9-10(17-5-16-9)18-6-19-11;1-4-10-11(5-1)14-8-15-12(10)13-7-9-3-2-6-16-9;1-12-11-16-9(8-10(17-11)15-6-14-8)13-5-7-3-2-4-18-7;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;1-5-15-6(17-16-5)2-10-8-7-9(12-3-11-7)14-4-13-8/h1-6H,(H2,16,17,18,19,20);1-3,5-6,8H,4,7H2,(H,13,14,15);2-4,6H,5H2,1H3,(H3,12,13,14,15,16,17);2-4,6-7H,5H2,1H3,(H,12,13,14);3-4H,2H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine has a molecular weight of 1197.18 g/mol, XLogP of 9.19, 15 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine is sourced from PubChem (CID 159984627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159984627 — identifiers, structure, computed properties (public domain)
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