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

C111H150ClN23O16S5 — CID 159693948

IUPAC(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(O)[C@@H](CO)C1.CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)CC1O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(=O)[nH]cnc23)CC1OC(C)=O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(C)ncnc23)CC1O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(N)ncnc23)CC1O.CSC[C@H]1CNCC1O.Cc1ncnc2c(C=O)cn(COCc3ccccc3)c12.Cl
InChIInChI=1S/C23H28N4O4S.C22H28N4O2S.C21H27N5O2S.C16H15N3O2.C13H19N5OS.C10H19NO4.C6H13NOS.ClH/c1-16(28)31-20-11-26(9-19(20)13-32-2)8-18-10-27(22-21(18)24-14-25-23(22)29)15-30-12-17-6-4-3-5-7-17;1-16-22-21(24-14-23-16)18(8-25-9-19(13-29-2)20(27)11-25)10-26(22)15-28-12-17-6-4-3-5-7-17;1-29-12-17-8-25(10-18(17)27)7-16-9-26(20-19(16)23-13-24-21(20)22)14-28-11-15-5-3-2-4-6-15;1-12-16-15(18-10-17-12)14(8-20)7-19(16)11-21-9-13-5-3-2-4-6-13;1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14;1-10(2,3)15-9(14)11-4-7(6-12)8(13)5-11;1-9-4-5-2-7-3-6(5)8;/h3-7,10,14,19-20H,8-9,11-13,15H2,1-2H3,(H,24,25,29);3-7,10,14,19-20,27H,8-9,11-13,15H2,1-2H3;2-6,9,13,17-18,27H,7-8,10-12,14H2,1H3,(H2,22,23,24);2-8,10H,9,11H2,1H3;2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17);7-8,12-13H,4-6H2,1-3H3;5-8H,2-4H2,1H3;1H/t2*19-,20?;17-,18?;;9-,10?;7-,8?;5-,6?;/m111.111./s1
InChIKeyUTCILIFFIYJNKG-STEWWONISA-N
MW2258.35 g/mol
LogP12.02
Rot. Bonds37

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

(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 159693948) has the molecular formula C111H150ClN23O16S5 and a molecular weight of 2258.35 g/mol. Its IUPAC name is (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID159693948
Molecular FormulaC111H150ClN23O16S5
Molecular Weight2258.35 g/mol
Exact Mass2255.99
IUPAC Name(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(O)[C@@H](CO)C1.CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)CC1O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(=O)[nH]cnc23)CC1OC(C)=O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(C)ncnc23)CC1O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(N)ncnc23)CC1O.CSC[C@H]1CNCC1O.Cc1ncnc2c(C=O)cn(COCc3ccccc3)c12.Cl
InChIInChI=1S/C23H28N4O4S.C22H28N4O2S.C21H27N5O2S.C16H15N3O2.C13H19N5OS.C10H19NO4.C6H13NOS.ClH/c1-16(28)31-20-11-26(9-19(20)13-32-2)8-18-10-27(22-21(18)24-14-25-23(22)29)15-30-12-17-6-4-3-5-7-17;1-16-22-21(24-14-23-16)18(8-25-9-19(13-29-2)20(27)11-25)10-26(22)15-28-12-17-6-4-3-5-7-17;1-29-12-17-8-25(10-18(17)27)7-16-9-26(20-19(16)23-13-24-21(20)22)14-28-11-15-5-3-2-4-6-15;1-12-16-15(18-10-17-12)14(8-20)7-19(16)11-21-9-13-5-3-2-4-6-13;1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14;1-10(2,3)15-9(14)11-4-7(6-12)8(13)5-11;1-9-4-5-2-7-3-6(5)8;/h3-7,10,14,19-20H,8-9,11-13,15H2,1-2H3,(H,24,25,29);3-7,10,14,19-20,27H,8-9,11-13,15H2,1-2H3;2-6,9,13,17-18,27H,7-8,10-12,14H2,1H3,(H2,22,23,24);2-8,10H,9,11H2,1H3;2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17);7-8,12-13H,4-6H2,1-3H3;5-8H,2-4H2,1H3;1H/t2*19-,20?;17-,18?;;9-,10?;7-,8?;5-,6?;/m111.111./s1
InChIKeyUTCILIFFIYJNKG-STEWWONISA-N
XLogP12.02
TPSA492.62 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds37
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002258.35
LogP ≤ 512.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride with MolForge

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Related Compounds

(3S,4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;(3S,4S)-4-(benzylsulfanylmethyl)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol;[(3S,4S)-4-(benzylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(3S,4S)-4-(benzylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S,4R)-3-hydroxy-4-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;hydrochloride
CID 157122775
tert-butyl 4-[4-[[[3-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]phenyl]piperazine-1-carboxylate;3-ethoxycarbonyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;8-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 157142478
(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
[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-5-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-[2-(dimethylamino)ethylcarbamoyloxy]-2-(methylsulfanylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] N-[2-(dimethylamino)ethyl]carbamate
CID 159156591
[(3aS,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-3a-yl]methanol;[(3aS,6aR)-2,2-dimethyl-5-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrol-3a-yl]methanol;[(3aS,6aR)-2,2-dimethyl-5-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrol-3a-yl]methanol;(3aR,6aR)-2,2-dimethyl-5-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3a-(methylsulfanylmethyl)-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrole;7-[[(3S,4R)-3,4-dihydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;7-[[(3R,4R)-3,4-dihydroxy-3-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;methane;4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
CID 159564646
(3S,4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (3S,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(3S,4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(3S,4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(3S,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
CID 159693949
CID 160386853
CID 160386853
(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol;palladium;5-(phenylmethoxymethyl)-7-[[(3S,4R)-3-phenylmethoxy-4-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(phenylmethoxymethyl)-7-[[(3S,4R)-3-phenylmethoxy-4-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one;dihydrate
CID 160498396
(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3R,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 160785589
(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-methyloxolan-3-ol;7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethane;7-[(2S,3S,4R,5R)-5-ethyl-3,4-dihydroxypyrrolidin-2-yl]-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one;[5-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;[6-(methylcarbamoyl)-3-pyridinyl]methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 160785590
2-amino-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazo[1,5-a]pyridin-1-yl]propanoic acid;benzyl (Z)-3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazo[1,5-a]pyridin-1-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate;tert-butyl 2-(1-formylimidazo[1,5-a]pyridin-3-yl)acetate;tert-butyl 2-imidazo[1,5-a]pyridin-3-ylacetate;tert-butyl 3-oxo-3-(pyridin-2-ylmethylamino)propanoate;pyridin-2-ylmethanamine
CID 161024060
[(3aS,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-3a-yl]methanol;[(3aS,6aR)-2,2-dimethyl-5-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrol-3a-yl]methanol;[(3aS,6aR)-2,2-dimethyl-5-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrol-3a-yl]methanol;(3aR,6aR)-2,2-dimethyl-5-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3a-(methylsulfanylmethyl)-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrole;7-[[(3S,4R)-3,4-dihydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;7-[[(3R,4R)-3,4-dihydroxy-3-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
CID 162004540

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride (CID 159693948) is (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride is CC(C)(C)OC(=O)N1CC(O)[C@@H](CO)C1.CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)CC1O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(=O)[nH]cnc23)CC1OC(C)=O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(C)ncnc23)CC1O.CSC[C@H]1CN(Cc2cn(COCc3ccccc3)c3c(N)ncnc23)CC1O.CSC[C@H]1CNCC1O.Cc1ncnc2c(C=O)cn(COCc3ccccc3)c12.Cl.
What is the InChIKey of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is UTCILIFFIYJNKG-STEWWONISA-N. The full InChI is InChI=1S/C23H28N4O4S.C22H28N4O2S.C21H27N5O2S.C16H15N3O2.C13H19N5OS.C10H19NO4.C6H13NOS.ClH/c1-16(28)31-20-11-26(9-19(20)13-32-2)8-18-10-27(22-21(18)24-14-25-23(22)29)15-30-12-17-6-4-3-5-7-17;1-16-22-21(24-14-23-16)18(8-25-9-19(13-29-2)20(27)11-25)10-26(22)15-28-12-17-6-4-3-5-7-17;1-29-12-17-8-25(10-18(17)27)7-16-9-26(20-19(16)23-13-24-21(20)22)14-28-11-15-5-3-2-4-6-15;1-12-16-15(18-10-17-12)14(8-20)7-19(16)11-21-9-13-5-3-2-4-6-13;1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14;1-10(2,3)15-9(14)11-4-7(6-12)8(13)5-11;1-9-4-5-2-7-3-6(5)8;/h3-7,10,14,19-20H,8-9,11-13,15H2,1-2H3,(H,24,25,29);3-7,10,14,19-20,27H,8-9,11-13,15H2,1-2H3;2-6,9,13,17-18,27H,7-8,10-12,14H2,1H3,(H2,22,23,24);2-8,10H,9,11H2,1H3;2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17);7-8,12-13H,4-6H2,1-3H3;5-8H,2-4H2,1H3;1H/t2*19-,20?;17-,18?;;9-,10?;7-,8?;5-,6?;/m111.111./s1.
What are the key properties of (4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
(4S)-1-[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 2258.35 g/mol, XLogP of 12.02, 37 rotatable bonds, 11 hydrogen bond donors, and 41 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-(methylsulfanylmethyl)pyrrolidin-3-ol;(4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;tert-butyl (4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate;4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbaldehyde;(4S)-1-[[4-methyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol;[(4S)-4-(methylsulfanylmethyl)-1-[[4-oxo-5-(phenylmethoxymethyl)-3H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-yl] acetate;(4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 159693948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).