(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C102H106N24O26S — CID 157389820

About (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 157389820) has the molecular formula C102H106N24O26S and a molecular weight of 2116.18 g/mol. Its IUPAC name is (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• PubChem CID: 157389820
• Molecular Formula: C102H106N24O26S
• Molecular Weight: 2116.18 g/mol
• Exact Mass: 2114.74
• IUPAC Name: (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• SMILES: Nc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccc3ccccc3c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CC=CC1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CC=CC1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O
• InChI: InChI=1S/C21H20N4O4.C19H18N4O5.2C16H18N4O4.C15H16N4O5.C15H16N4O4S/c22-19-16-14(13-6-5-11-3-1-2-4-12(11)7-13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21;20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19;2*17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(23)12(22)10(6-21)24-16;16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15;16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24);1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22);2*1-3,5,7,10,12-13,16,21-23H,4,6H2,(H2,17,18,19);2*1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t15-,17?,18+,21-;13-,15?,16+,19-;2*10-,12?,13+,16-;2*9-,11?,12+,15-/m111111/s1
• InChIKey: BLWGKDVMUWBBEI-PIGNPRMYSA-N
• XLogP: 2.66
• TPSA: 786.18 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 51
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.18
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?

The IUPAC name of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 157389820) is (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

What is the SMILES notation for (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?

The canonical SMILES for (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccc3ccccc3c1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccoc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1ccsc1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CC=CC1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CC=CC1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.

What is the InChIKey of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?

The InChIKey is BLWGKDVMUWBBEI-PIGNPRMYSA-N. The full InChI is InChI=1S/C21H20N4O4.C19H18N4O5.2C16H18N4O4.C15H16N4O5.C15H16N4O4S/c22-19-16-14(13-6-5-11-3-1-2-4-12(11)7-13)8-25(20(16)24-10-23-19)21-18(28)17(27)15(9-26)29-21;20-17-14-10(12-5-9-3-1-2-4-11(9)27-12)6-23(18(14)22-8-21-17)19-16(26)15(25)13(7-24)28-19;2*17-14-11-9(8-3-1-2-4-8)5-20(15(11)19-7-18-14)16-13(23)12(22)10(6-21)24-16;16-13-10-8(7-1-2-23-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)24-15;16-13-10-8(7-1-2-24-5-7)3-19(14(10)18-6-17-13)15-12(22)11(21)9(4-20)23-15/h1-8,10,15,17-18,21,26-28H,9H2,(H2,22,23,24);1-6,8,13,15-16,19,24-26H,7H2,(H2,20,21,22);2*1-3,5,7,10,12-13,16,21-23H,4,6H2,(H2,17,18,19);2*1-3,5-6,9,11-12,15,20-22H,4H2,(H2,16,17,18)/t15-,17?,18+,21-;13-,15?,16+,19-;2*10-,12?,13+,16-;2*9-,11?,12+,15-/m111111/s1.

What are the key properties of (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?

(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 2116.18 g/mol, XLogP of 2.66, 18 rotatable bonds, 24 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;bis((2R,3S,5R)-2-(4-amino-5-cyclopenta-1,3-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol);(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-naphthalen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 157389820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).