3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione

C56H51N15O7S2 — CID 161349054

About 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione

3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione (PubChem CID 161349054) has the molecular formula C56H51N15O7S2 and a molecular weight of 1110.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione
• PubChem CID: 161349054
• Molecular Formula: C56H51N15O7S2
• Molecular Weight: 1110.26 g/mol
• Exact Mass: 1109.35
• IUPAC Name: 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione
• SMILES: CC(C)c1nc(-c2nccs2)c2sccc2n1.Cc1nc(-c2ccco2)c2ncn(C(=O)CCc3ccccc3)c2n1.Cc1nc(-c2ccco2)c2ncn(C(=O)CCc3ccco3)c2n1.Cn1c(=O)c2c(ncn2C)n(C)c1=O
• InChI: InChI=1S/C19H16N4O2.C17H14N4O3.C12H11N3S2.C8H10N4O2/c1-13-21-17(15-8-5-11-25-15)18-19(22-13)23(12-20-18)16(24)10-9-14-6-3-2-4-7-14;1-11-19-15(13-5-3-9-24-13)16-17(20-11)21(10-18-16)14(22)7-6-12-4-2-8-23-12;1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h2-8,11-12H,9-10H2,1H3;2-5,8-10H,6-7H2,1H3;3-7H,1-2H3;4H,1-3H3
• InChIKey: VNRRELQKXGBTGN-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 261.25 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.26
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione?

The IUPAC name of 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione (CID 161349054) is 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione.

What is the SMILES notation for 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione?

The canonical SMILES for 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione is CC(C)c1nc(-c2nccs2)c2sccc2n1.Cc1nc(-c2ccco2)c2ncn(C(=O)CCc3ccccc3)c2n1.Cc1nc(-c2ccco2)c2ncn(C(=O)CCc3ccco3)c2n1.Cn1c(=O)c2c(ncn2C)n(C)c1=O.

What is the InChIKey of 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione?

The InChIKey is VNRRELQKXGBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.C17H14N4O3.C12H11N3S2.C8H10N4O2/c1-13-21-17(15-8-5-11-25-15)18-19(22-13)23(12-20-18)16(24)10-9-14-6-3-2-4-7-14;1-11-19-15(13-5-3-9-24-13)16-17(20-11)21(10-18-16)14(22)7-6-12-4-2-8-23-12;1-7(2)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h2-8,11-12H,9-10H2,1H3;2-5,8-10H,6-7H2,1H3;3-7H,1-2H3;4H,1-3H3.

What are the key properties of 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione?

3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione has a molecular weight of 1110.26 g/mol, XLogP of 9.84, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-1-[6-(furan-2-yl)-2-methylpurin-9-yl]propan-1-one;1-[6-(furan-2-yl)-2-methylpurin-9-yl]-3-phenylpropan-1-one;2-propan-2-yl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 161349054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).