bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol

C107H142ClN23O22 — CID 162252977

About bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol

bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol (PubChem CID 162252977) has the molecular formula C107H142ClN23O22 and a molecular weight of 2137.90 g/mol. Its IUPAC name is bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol.

Molecular Properties

• Compound Name: bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol
• PubChem CID: 162252977
• Molecular Formula: C107H142ClN23O22
• Molecular Weight: 2137.90 g/mol
• Exact Mass: 2136.04
• IUPAC Name: bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol
• SMILES: C=CCO[C@@H]1[C@@H](COC)C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]1O.CC[C@H]1C[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](OC)[C@@H]1C.CC[C@H]1C[C@@H](c2c[nH]c3c(Cl)ncnc23)[C@H](OC)[C@@H]1C.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(=O)[nH]cnc12.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(=O)[nH]cnc12.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(N)ncnc12.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(N)ncnc12
• InChI: InChI=1S/C25H31N3O5.C15H20ClN3O.C15H21N3O2.2C13H18N4O3.2C13H17N3O4/c1-4-10-33-24-18(14-30-2)11-19(23(24)29)20-12-28(16-32-13-17-8-6-5-7-9-17)22-21(20)26-15-27-25(22)31-3;1-4-9-5-10(14(20-3)8(9)2)11-6-17-13-12(11)18-7-19-15(13)16;1-4-9-5-10(14(20-3)8(9)2)11-6-16-13-12(11)17-7-18-15(13)19;2*1-20-12-7(2-6(4-18)11(12)19)8-3-15-10-9(8)16-5-17-13(10)14;2*1-20-12-7(2-6(4-17)11(12)18)8-3-14-10-9(8)15-5-16-13(10)19/h4-9,12,15,18-19,23-24,29H,1,10-11,13-14,16H2,2-3H3;6-10,14,17H,4-5H2,1-3H3;6-10,14,16H,4-5H2,1-3H3,(H,17,18,19);2*3,5-7,11-12,15,18-19H,2,4H2,1H3,(H2,14,16,17);2*3,5-7,11-12,14,17-18H,2,4H2,1H3,(H,15,16,19)/t18-,19+,23+,24-;2*8-,9+,10+,14-;4*6-,7+,11-,12+/m1111111/s1
• InChIKey: ZYFPGPFGKYXZNY-WTEWXWSBSA-N
• XLogP: 8.96
• TPSA: 666.45 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.90
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol?

The IUPAC name of bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol (CID 162252977) is bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol.

What is the SMILES notation for bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol?

The canonical SMILES for bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol is C=CCO[C@@H]1[C@@H](COC)C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]1O.CC[C@H]1C[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](OC)[C@@H]1C.CC[C@H]1C[C@@H](c2c[nH]c3c(Cl)ncnc23)[C@H](OC)[C@@H]1C.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(=O)[nH]cnc12.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(=O)[nH]cnc12.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(N)ncnc12.CO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1c1c[nH]c2c(N)ncnc12.

What is the InChIKey of bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol?

The InChIKey is ZYFPGPFGKYXZNY-WTEWXWSBSA-N. The full InChI is InChI=1S/C25H31N3O5.C15H20ClN3O.C15H21N3O2.2C13H18N4O3.2C13H17N3O4/c1-4-10-33-24-18(14-30-2)11-19(23(24)29)20-12-28(16-32-13-17-8-6-5-7-9-17)22-21(20)26-15-27-25(22)31-3;1-4-9-5-10(14(20-3)8(9)2)11-6-17-13-12(11)18-7-19-15(13)16;1-4-9-5-10(14(20-3)8(9)2)11-6-16-13-12(11)17-7-18-15(13)19;2*1-20-12-7(2-6(4-18)11(12)19)8-3-15-10-9(8)16-5-17-13(10)14;2*1-20-12-7(2-6(4-17)11(12)18)8-3-14-10-9(8)15-5-16-13(10)19/h4-9,12,15,18-19,23-24,29H,1,10-11,13-14,16H2,2-3H3;6-10,14,17H,4-5H2,1-3H3;6-10,14,16H,4-5H2,1-3H3,(H,17,18,19);2*3,5-7,11-12,15,18-19H,2,4H2,1H3,(H2,14,16,17);2*3,5-7,11-12,14,17-18H,2,4H2,1H3,(H,15,16,19)/t18-,19+,23+,24-;2*8-,9+,10+,14-;4*6-,7+,11-,12+/m1111111/s1.

What are the key properties of bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol?

bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol has a molecular weight of 2137.90 g/mol, XLogP of 8.96, 29 rotatable bonds, 20 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1R,2S,3S,5R)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2-methoxycyclopentan-1-ol);4-chloro-7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-5H-pyrrolo[3,2-d]pyrimidine;7-[(1S,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2S,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methoxycyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);(1S,2R,3R,5S)-3-(methoxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-2-prop-2-enoxycyclopentan-1-ol is sourced from PubChem (CID 162252977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).