6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)

C59H56F3N26O7Y5-5 — CID 161386222

IUPAC6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)
SMILESCC(C)Oc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.CN(C)c1nc2n[c-]nc(NCc3ccco3)c2[nH]1.Cn1cnc2c(NCc3ccco3)n[c-]nc21.Cn1cnc2n[c-]nc(NCc3ccco3)c21.FC(F)(F)COc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H14N5O2.C12H9F3N5O2.C12H13N6O.2C11H10N5O.5Y/c1-8(2)20-13-17-10-11(15-7-16-12(10)18-13)14-6-9-4-3-5-19-9;13-12(14,15)5-22-11-19-8-9(17-6-18-10(8)20-11)16-4-7-2-1-3-21-7;1-18(2)12-16-9-10(14-7-15-11(9)17-12)13-6-8-4-3-5-19-8;1-16-7-15-11-9(16)10(13-6-14-11)12-5-8-3-2-4-17-8;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;;;;;/h3-5,8H,6H2,1-2H3,(H2,14,15,16,17,18);1-3H,4-5H2,(H2,16,17,18,19,20);3-5H,6H2,1-2H3,(H2,13,14,15,16,17);2*2-4,7H,5H2,1H3,(H,12,13,14);;;;;/q5*-1;;;;;
InChIKeyBPBSCAUTHSBVFN-UHFFFAOYSA-N
MW1742.80 g/mol
LogP8.59
Rot. Bonds20

About 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)

6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) (PubChem CID 161386222) has the molecular formula C59H56F3N26O7Y5-5 and a molecular weight of 1742.80 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium).

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)
PubChem CID161386222
Molecular FormulaC59H56F3N26O7Y5-5
Molecular Weight1742.80 g/mol
Exact Mass1742.01
IUPAC Name6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)
SMILESCC(C)Oc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.CN(C)c1nc2n[c-]nc(NCc3ccco3)c2[nH]1.Cn1cnc2c(NCc3ccco3)n[c-]nc21.Cn1cnc2n[c-]nc(NCc3ccco3)c21.FC(F)(F)COc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C13H14N5O2.C12H9F3N5O2.C12H13N6O.2C11H10N5O.5Y/c1-8(2)20-13-17-10-11(15-7-16-12(10)18-13)14-6-9-4-3-5-19-9;13-12(14,15)5-22-11-19-8-9(17-6-18-10(8)20-11)16-4-7-2-1-3-21-7;1-18(2)12-16-9-10(14-7-15-11(9)17-12)13-6-8-4-3-5-19-8;1-16-7-15-11-9(16)10(13-6-14-11)12-5-8-3-2-4-17-8;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;;;;;/h3-5,8H,6H2,1-2H3,(H2,14,15,16,17,18);1-3H,4-5H2,(H2,16,17,18,19,20);3-5H,6H2,1-2H3,(H2,13,14,15,16,17);2*2-4,7H,5H2,1H3,(H,12,13,14);;;;;/q5*-1;;;;;
InChIKeyBPBSCAUTHSBVFN-UHFFFAOYSA-N
XLogP8.59
TPSA398.13 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001742.80
LogP ≤ 58.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 123488303
N-[(5-methylfuran-2-yl)methyl]-8-[6-[[5-(trifluoromethyl)furan-2-yl]methylamino]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
CID 123896134
2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine
CID 159230109
N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;yttrium
CID 162454165
N,N-bis(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine
CID 133530120
CID 19706488
CID 19706488
tris(furan-2-carbaldehyde);tris(N-(furan-2-ylmethyl)-7H-purin-6-amine)
CID 173339803

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?
The IUPAC name of 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) (CID 161386222) is 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium).
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) is CC(C)Oc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.CN(C)c1nc2n[c-]nc(NCc3ccco3)c2[nH]1.Cn1cnc2c(NCc3ccco3)n[c-]nc21.Cn1cnc2n[c-]nc(NCc3ccco3)c21.FC(F)(F)COc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?
The InChIKey is BPBSCAUTHSBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N5O2.C12H9F3N5O2.C12H13N6O.2C11H10N5O.5Y/c1-8(2)20-13-17-10-11(15-7-16-12(10)18-13)14-6-9-4-3-5-19-9;13-12(14,15)5-22-11-19-8-9(17-6-18-10(8)20-11)16-4-7-2-1-3-21-7;1-18(2)12-16-9-10(14-7-15-11(9)17-12)13-6-8-4-3-5-19-8;1-16-7-15-11-9(16)10(13-6-14-11)12-5-8-3-2-4-17-8;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;;;;;/h3-5,8H,6H2,1-2H3,(H2,14,15,16,17,18);1-3H,4-5H2,(H2,16,17,18,19,20);3-5H,6H2,1-2H3,(H2,13,14,15,16,17);2*2-4,7H,5H2,1H3,(H,12,13,14);;;;;/q5*-1;;;;;.
What are the key properties of 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?
6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) has a molecular weight of 1742.80 g/mol, XLogP of 8.59, 20 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) is sourced from PubChem (CID 161386222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).