benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride

C111H138ClF4N16O18+ — CID 159065295

About benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride

benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride (PubChem CID 159065295) has the molecular formula C111H138ClF4N16O18+ and a molecular weight of 2095.86 g/mol. Its IUPAC name is benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride
• PubChem CID: 159065295
• Molecular Formula: C111H138ClF4N16O18+
• Molecular Weight: 2095.86 g/mol
• Exact Mass: 2094.00
• IUPAC Name: benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride
• SMILES: CC[C@H]1C[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@@H](F)[C@@H]1C.CC[N+](CC)(CC)Cc1ccccc1.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H](F)[C@@H]1OCc1ccc(OC)cc1.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](O)[C@@H]1OCc1ccc(OC)cc1.Cl.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12
• InChI: InChI=1S/C30H34FN3O5.C30H35N3O6.C14H18FN3O.C13H22N.2C12H14FN3O3.ClH/c1-35-17-22-13-24(26(31)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-34(19-38-15-20-7-5-4-6-8-20)28-27(25)32-18-33-30(28)37-3;1-35-17-22-13-24(28(34)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-33(19-38-15-20-7-5-4-6-8-20)27-26(25)31-18-32-30(27)37-3;1-3-8-4-9(11(15)7(8)2)10-5-16-13-12(10)17-6-18-14(13)19;1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2*13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19;/h4-12,14,18,22,24,26,29H,13,15-17,19H2,1-3H3;4-12,14,18,22,24,28-29,34H,13,15-17,19H2,1-3H3;5-9,11,16H,3-4H2,1-2H3,(H,17,18,19);7-11H,4-6,12H2,1-3H3;2*2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19);1H/q;;;+1;;;/t22-,24+,26-,29-;22-,24+,28+,29-;7-,8+,9+,11+;;2*5-,6+,8-,11-;/m111.11./s1
• InChIKey: CDOOSUOTTQJDCR-VDENNNBOSA-N
• XLogP: 15.93
• TPSA: 439.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2095.86
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride?

The IUPAC name of benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride (CID 159065295) is benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride.

What is the SMILES notation for benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride?

The canonical SMILES for benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride is CC[C@H]1C[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@@H](F)[C@@H]1C.CC[N+](CC)(CC)Cc1ccccc1.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H](F)[C@@H]1OCc1ccc(OC)cc1.COC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@H](O)[C@@H]1OCc1ccc(OC)cc1.Cl.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.O=c1[nH]cnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@@H]3F)c[nH]c12.

What is the InChIKey of benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride?

The InChIKey is CDOOSUOTTQJDCR-VDENNNBOSA-N. The full InChI is InChI=1S/C30H34FN3O5.C30H35N3O6.C14H18FN3O.C13H22N.2C12H14FN3O3.ClH/c1-35-17-22-13-24(26(31)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-34(19-38-15-20-7-5-4-6-8-20)28-27(25)32-18-33-30(28)37-3;1-35-17-22-13-24(28(34)29(22)39-16-21-9-11-23(36-2)12-10-21)25-14-33(19-38-15-20-7-5-4-6-8-20)27-26(25)31-18-32-30(27)37-3;1-3-8-4-9(11(15)7(8)2)10-5-16-13-12(10)17-6-18-14(13)19;1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;2*13-8-6(1-5(3-17)11(8)18)7-2-14-10-9(7)15-4-16-12(10)19;/h4-12,14,18,22,24,26,29H,13,15-17,19H2,1-3H3;4-12,14,18,22,24,28-29,34H,13,15-17,19H2,1-3H3;5-9,11,16H,3-4H2,1-2H3,(H,17,18,19);7-11H,4-6,12H2,1-3H3;2*2,4-6,8,11,14,17-18H,1,3H2,(H,15,16,19);1H/q;;;+1;;;/t22-,24+,26-,29-;22-,24+,28+,29-;7-,8+,9+,11+;;2*5-,6+,8-,11-;/m111.11./s1.

What are the key properties of benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride?

benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride has a molecular weight of 2095.86 g/mol, XLogP of 15.93, 35 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl(triethyl)azanium;7-[(1S,2S,3R,4S)-4-ethyl-2-fluoro-3-methylcyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;bis(7-[(1S,2R,3R,4R)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one);7-[(1S,2R,3R,4R)-2-fluoro-4-(methoxymethyl)-3-[(4-methoxyphenyl)methoxy]cyclopentyl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine;(1S,2R,3R,5S)-3-(methoxymethyl)-2-[(4-methoxyphenyl)methoxy]-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 159065295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).