N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)

C52H43N26O4SY5-5 — CID 158980082

About N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)

N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) (PubChem CID 158980082) has the molecular formula C52H43N26O4SY5-5 and a molecular weight of 1572.69 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium).

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)
• PubChem CID: 158980082
• Molecular Formula: C52H43N26O4SY5-5
• Molecular Weight: 1572.69 g/mol
• Exact Mass: 1571.90
• IUPAC Name: N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)
• SMILES: COc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.[Y].[Y].[Y].[Y].[Y].[c-]1nc(NCc2ccco2)c2[nH]cnc2n1.[c-]1nc(NCc2ccncc2)c2[nH]cnc2n1.[c-]1nc(NCc2nccs2)c2[nH]cnc2n1.[c-]1nc2c(c(NCc3ccco3)n1)CC=N2
• InChI: InChI=1S/C11H9N6.C11H10N5O2.C11H9N4O.C10H8N5O.C9H7N6S.5Y/c1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-17-11-15-8-9(13-6-14-10(8)16-11)12-5-7-3-2-4-18-7;1-2-8(16-5-1)6-13-11-9-3-4-12-10(9)14-7-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8;;;;;/h1-4,6H,5H2,(H2,13,14,15,16,17);2-4H,5H2,1H3,(H2,12,13,14,15,16);1-2,4-5H,3,6H2,(H,13,14,15);1-3,5H,4H2,(H2,11,12,13,14,15);1-2,4H,3H2,(H2,11,12,13,14,15);;;;;/q5*-1
• InChIKey: XDTZVBHAUAEPBP-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 390.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1572.69
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?

The IUPAC name of N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) (CID 158980082) is N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium).

What is the SMILES notation for N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?

The canonical SMILES for N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) is COc1nc2n[c-]nc(NCc3ccco3)c2[nH]1.[Y].[Y].[Y].[Y].[Y].[c-]1nc(NCc2ccco2)c2[nH]cnc2n1.[c-]1nc(NCc2ccncc2)c2[nH]cnc2n1.[c-]1nc(NCc2nccs2)c2[nH]cnc2n1.[c-]1nc2c(c(NCc3ccco3)n1)CC=N2.

What is the InChIKey of N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?

The InChIKey is XDTZVBHAUAEPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N6.C11H10N5O2.C11H9N4O.C10H8N5O.C9H7N6S.5Y/c1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-17-11-15-8-9(13-6-14-10(8)16-11)12-5-7-3-2-4-18-7;1-2-8(16-5-1)6-13-11-9-3-4-12-10(9)14-7-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8;;;;;/h1-4,6H,5H2,(H2,13,14,15,16,17);2-4H,5H2,1H3,(H2,12,13,14,15,16);1-2,4-5H,3,6H2,(H,13,14,15);1-3,5H,4H2,(H2,11,12,13,14,15);1-2,4H,3H2,(H2,11,12,13,14,15);;;;;/q5*-1;;;;;.

What are the key properties of N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)?

N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) has a molecular weight of 1572.69 g/mol, XLogP of 6.83, 16 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-2,5-dihydropyrrolo[2,3-d]pyrimidin-2-id-4-amine;N-(furan-2-ylmethyl)-8-methoxy-2,7-dihydropurin-2-id-6-amine;N-(pyridin-4-ylmethyl)-2,7-dihydropurin-2-id-6-amine;N-(1,3-thiazol-2-ylmethyl)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium) is sourced from PubChem (CID 158980082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).