2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine

C60H53BrCl4F3N29O7 — CID 161165918

About 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine

2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine (PubChem CID 161165918) has the molecular formula C60H53BrCl4F3N29O7 and a molecular weight of 1570.99 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine.

Molecular Properties

• Compound Name: 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine
• PubChem CID: 161165918
• Molecular Formula: C60H53BrCl4F3N29O7
• Molecular Weight: 1570.99 g/mol
• Exact Mass: 1567.26
• IUPAC Name: 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine
• SMILES: Brc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1cnccc1CNc1nc(Cl)nc2nc[nH]c12.Clc1nc(NCc2ccco2)c2[nH]c(OC3COC3)nc2n1.Clc1nc(NCc2ccncn2)c2[nH]c(NC3COC3)nc2n1.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
• InChI: InChI=1S/C13H13ClN8O.C13H12ClN5O3.C12H9ClF3N5O2.C12H11ClN6.C10H8BrN5O/c14-12-20-10(16-3-7-1-2-15-6-17-7)9-11(21-12)22-13(19-9)18-8-4-23-5-8;14-12-17-10(15-4-7-2-1-3-21-7)9-11(18-12)19-13(16-9)22-8-5-20-6-8;13-10-19-8(17-4-6-2-1-3-22-6)7-9(20-10)21-11(18-7)23-5-12(14,15)16;1-7-4-14-3-2-8(7)5-15-10-9-11(17-6-16-9)19-12(13)18-10;11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-2,6,8H,3-5H2,(H3,16,18,19,20,21,22);1-3,8H,4-6H2,(H2,15,16,17,18,19);1-3H,4-5H2,(H2,17,18,19,20,21);2-4,6H,5H2,1H3,(H2,15,16,17,18,19);1-3,5H,4H2,(H2,12,13,14,15,16)
• InChIKey: UQNNBDMRLBTTBI-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 459.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1570.99
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine?

The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine (CID 161165918) is 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine.

What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine?

The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine is Brc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1cnccc1CNc1nc(Cl)nc2nc[nH]c12.Clc1nc(NCc2ccco2)c2[nH]c(OC3COC3)nc2n1.Clc1nc(NCc2ccncn2)c2[nH]c(NC3COC3)nc2n1.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.

What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine?

The InChIKey is UQNNBDMRLBTTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN8O.C13H12ClN5O3.C12H9ClF3N5O2.C12H11ClN6.C10H8BrN5O/c14-12-20-10(16-3-7-1-2-15-6-17-7)9-11(21-12)22-13(19-9)18-8-4-23-5-8;14-12-17-10(15-4-7-2-1-3-21-7)9-11(18-12)19-13(16-9)22-8-5-20-6-8;13-10-19-8(17-4-6-2-1-3-22-6)7-9(20-10)21-11(18-7)23-5-12(14,15)16;1-7-4-14-3-2-8(7)5-15-10-9-11(17-6-16-9)19-12(13)18-10;11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-2,6,8H,3-5H2,(H3,16,18,19,20,21,22);1-3,8H,4-6H2,(H2,15,16,17,18,19);1-3H,4-5H2,(H2,17,18,19,20,21);2-4,6H,5H2,1H3,(H2,15,16,17,18,19);1-3,5H,4H2,(H2,12,13,14,15,16).

What are the key properties of 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine?

2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine has a molecular weight of 1570.99 g/mol, XLogP of 11.00, 21 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine is sourced from PubChem (CID 161165918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).