(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride

C142H172ClN23O15S5 — CID 158199502

About (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride

(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride (PubChem CID 158199502) has the molecular formula C142H172ClN23O15S5 and a molecular weight of 2636.87 g/mol. Its IUPAC name is (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride.

Molecular Properties

• Compound Name: (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride
• PubChem CID: 158199502
• Molecular Formula: C142H172ClN23O15S5
• Molecular Weight: 2636.87 g/mol
• Exact Mass: 2634.17
• IUPAC Name: (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride
• SMILES: CC(=O)OC1CN(Cc2cn(COCc3ccccc3)c3c(=O)[nH]cnc23)C[C@@H]1CSCc1ccccc1.CC[C@H]1CN(C(=O)OC(C)(C)C)CC1O.Cc1ncnc2c(C=O)cn(COCc3ccccc3)c12.Cc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)cn(COCc3ccccc3)c12.Cl.Nc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)c[nH]c12.Nc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)cn(COCc3ccccc3)c12.OC1CNC[C@@H]1CSCc1ccccc1
• InChI: InChI=1S/C29H32N4O4S.C28H32N4O2S.C27H31N5O2S.C19H23N5OS.C16H15N3O2.C12H17NOS.C11H21NO3.ClH/c1-21(34)37-26-15-32(13-25(26)18-38-17-23-10-6-3-7-11-23)12-24-14-33(28-27(24)30-19-31-29(28)35)20-36-16-22-8-4-2-5-9-22;1-21-28-27(30-19-29-21)24(14-32(28)20-34-16-22-8-4-2-5-9-22)12-31-13-25(26(33)15-31)18-35-17-23-10-6-3-7-11-23;28-27-26-25(29-18-30-27)22(13-32(26)19-34-15-20-7-3-1-4-8-20)11-31-12-23(24(33)14-31)17-35-16-21-9-5-2-6-10-21;20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13;1-12-16-15(18-10-17-12)14(8-20)7-19(16)11-21-9-13-5-3-2-4-6-13;14-12-7-13-6-11(12)9-15-8-10-4-2-1-3-5-10;1-5-8-6-12(7-9(8)13)10(14)15-11(2,3)4;/h2-11,14,19,25-26H,12-13,15-18,20H2,1H3,(H,30,31,35);2-11,14,19,25-26,33H,12-13,15-18,20H2,1H3;1-10,13,18,23-24,33H,11-12,14-17,19H2,(H2,28,29,30);1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23);2-8,10H,9,11H2,1H3;1-5,11-14H,6-9H2;8-9,13H,5-7H2,1-4H3;1H/t2*25-,26?;23-,24?;15-,16?;;11-,12?;8-,9?;/m1111.10./s1
• InChIKey: QZSKXKXUMXYDAV-SYNSRZGOSA-N
• XLogP: 21.29
• TPSA: 472.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.87
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride?

The IUPAC name of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride (CID 158199502) is (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride.

What is the SMILES notation for (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride?

The canonical SMILES for (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride is CC(=O)OC1CN(Cc2cn(COCc3ccccc3)c3c(=O)[nH]cnc23)C[C@@H]1CSCc1ccccc1.CC[C@H]1CN(C(=O)OC(C)(C)C)CC1O.Cc1ncnc2c(C=O)cn(COCc3ccccc3)c12.Cc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)cn(COCc3ccccc3)c12.Cl.Nc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)c[nH]c12.Nc1ncnc2c(CN3CC(O)[C@@H](CSCc4ccccc4)C3)cn(COCc3ccccc3)c12.OC1CNC[C@@H]1CSCc1ccccc1.

What is the InChIKey of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride?

The InChIKey is QZSKXKXUMXYDAV-SYNSRZGOSA-N. The full InChI is InChI=1S/C29H32N4O4S.C28H32N4O2S.C27H31N5O2S.C19H23N5OS.C16H15N3O2.C12H17NOS.C11H21NO3.ClH/c1-21(34)37-26-15-32(13-25(26)18-38-17-23-10-6-3-7-11-23)12-24-14-33(28-27(24)30-19-31-29(28)35)20-36-16-22-8-4-2-5-9-22;1-21-28-27(30-19-29-21)24(14-32(28)20-34-16-22-8-4-2-5-9-22)12-31-13-25(26(33)15-31)18-35-17-23-10-6-3-7-11-23;28-27-26-25(29-18-30-27)22(13-32(26)19-34-15-20-7-3-1-4-8-20)11-31-12-23(24(33)14-31)17-35-16-21-9-5-2-6-10-21;20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13;1-12-16-15(18-10-17-12)14(8-20)7-19(16)11-21-9-13-5-3-2-4-6-13;14-12-7-13-6-11(12)9-15-8-10-4-2-1-3-5-10;1-5-8-6-12(7-9(8)13)10(14)15-11(2,3)4;/h2-11,14,19,25-26H,12-13,15-18,20H2,1H3,(H,30,31,35);2-11,14,19,25-26,33H,12-13,15-18,20H2,1H3;1-10,13,18,23-24,33H,11-12,14-17,19H2,(H2,28,29,30);1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23);2-8,10H,9,11H2,1H3;1-5,11-14H,6-9H2;8-9,13H,5-7H2,1-4H3;1H/t2*25-,26?;23-,24?;15-,16?;;11-,12?;8-,9?;/m1111.10./s1.

What are the key properties of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride?

(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride has a molecular weight of 2636.87 g/mol, XLogP of 21.29, 47 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride is sourced from PubChem (CID 158199502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).