(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C143H181ClF2N34O2 — CID 157403049

IUPAC(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2ccn(CCCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCOC)c12.CCCCNc1nc(C)nc2ccn(CCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)c(Cl)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(F)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.CCC[C@@H](CO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C20H26N4.C19H24N4O.C19H24N4.C18H20ClFN4.C18H21FN4.C18H23N5.C17H21N5.C14H22N4O/c1-3-4-13-21-20-19-18(22-16(2)23-20)12-15-24(19)14-8-11-17-9-6-5-7-10-17;1-3-7-16(13-24)22-19-18-17(20-14(2)21-19)10-11-23(18)12-15-8-5-4-6-9-15;1-3-4-12-20-19-18-17(21-15(2)22-19)11-14-23(18)13-10-16-8-6-5-7-9-16;1-3-4-8-21-18-17-16(22-12(2)23-18)7-9-24(17)11-13-5-6-15(20)14(19)10-13;1-3-4-9-20-18-17-16(21-13(2)22-18)8-10-23(17)12-14-6-5-7-15(19)11-14;1-4-5-10-19-18-17-16(21-14(3)22-18)9-11-23(17)12-15-8-6-7-13(2)20-15;1-3-4-9-19-17-16-15(20-13(2)21-17)8-11-22(16)12-14-7-5-6-10-18-14;1-4-5-7-15-14-13-12(16-11(2)17-14)6-8-18(13)9-10-19-3/h5-7,9-10,12,15H,3-4,8,11,13-14H2,1-2H3,(H,21,22,23);4-6,8-11,16,24H,3,7,12-13H2,1-2H3,(H,20,21,22);5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,20,21,22);5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,22,23);5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,21,22);6-9,11H,4-5,10,12H2,1-3H3,(H,19,21,22);5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21);6,8H,4-5,7,9-10H2,1-3H3,(H,15,16,17)/t;16-;;;;;;/m.0....../s1
InChIKeyBNJWVCHQBYYWSR-JYJZUJMJSA-N
MW2481.71 g/mol
LogP30.77
Rot. Bonds53

About (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 157403049) has the molecular formula C143H181ClF2N34O2 and a molecular weight of 2481.71 g/mol. Its IUPAC name is (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID157403049
Molecular FormulaC143H181ClF2N34O2
Molecular Weight2481.71 g/mol
Exact Mass2479.48
IUPAC Name(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2ccn(CCCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCOC)c12.CCCCNc1nc(C)nc2ccn(CCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)c(Cl)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(F)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.CCC[C@@H](CO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C20H26N4.C19H24N4O.C19H24N4.C18H20ClFN4.C18H21FN4.C18H23N5.C17H21N5.C14H22N4O/c1-3-4-13-21-20-19-18(22-16(2)23-20)12-15-24(19)14-8-11-17-9-6-5-7-10-17;1-3-7-16(13-24)22-19-18-17(20-14(2)21-19)10-11-23(18)12-15-8-5-4-6-9-15;1-3-4-12-20-19-18-17(21-15(2)22-19)11-14-23(18)13-10-16-8-6-5-7-9-16;1-3-4-8-21-18-17-16(22-12(2)23-18)7-9-24(17)11-13-5-6-15(20)14(19)10-13;1-3-4-9-20-18-17-16(21-13(2)22-18)8-10-23(17)12-14-6-5-7-15(19)11-14;1-4-5-10-19-18-17-16(21-14(3)22-18)9-11-23(17)12-15-8-6-7-13(2)20-15;1-3-4-9-19-17-16-15(20-13(2)21-17)8-11-22(16)12-14-7-5-6-10-18-14;1-4-5-7-15-14-13-12(16-11(2)17-14)6-8-18(13)9-10-19-3/h5-7,9-10,12,15H,3-4,8,11,13-14H2,1-2H3,(H,21,22,23);4-6,8-11,16,24H,3,7,12-13H2,1-2H3,(H,20,21,22);5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,20,21,22);5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,22,23);5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,21,22);6-9,11H,4-5,10,12H2,1-3H3,(H,19,21,22);5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21);6,8H,4-5,7,9-10H2,1-3H3,(H,15,16,17)/t;16-;;;;;;/m.0....../s1
InChIKeyBNJWVCHQBYYWSR-JYJZUJMJSA-N
XLogP30.77
TPSA397.16 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds53
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002481.71
LogP ≤ 530.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(4R)-3-[6-chloro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one;(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 157564286
4-[2-(5,10-Dimethyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(5,10-dimethyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(12-fluoro-6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)ethyl]morpholine;methane;4-[2-(6-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;hydrochloride
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1-[4-(3,5-Dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-(1,1-difluoroethyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[5-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[7-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 157725329
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;1,9-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indole;1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;9-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 157781785
CID 157979426
CID 157979426
N-[5-[(1-cyclopropylpiperidin-4-ylidene)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2-methoxyethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine;2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]ethanol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158030610
N-[(3-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 158145853
6-chloro-1-[(2R)-1-hydroxybutan-2-yl]-7-pyridin-2-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-7-phenyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(5-methyl-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methyl-3-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[2-(trifluoromethyl)-4-pyridinyl]-3H-imidazo[4,5-b]pyridin-2-one;sulfane
CID 158224780
(8S)-7-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-5-methyl-8-propan-2-yl-7-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-8-propan-2-yl-5-(trideuteriomethyl)-7-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-8-propan-2-yl-7-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-2-oxa-5,7-diazaspiro[3.4]octan-6-one
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4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;2-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;N-[6-(2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]hydroxylamine
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N-[5-[[1-(2,2-difluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;3-[4-[(1R)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]ethyl]piperidin-1-yl]propan-1-ol;3-[4-[(1S)-1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]ethyl]piperidin-1-yl]propan-1-ol;3-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methylidene]piperidin-1-yl]propan-1-ol;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]methyl]-2-pyridinyl]pyrimidin-2-amine
CID 158913992
CID 159079625
CID 159079625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 157403049) is (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(CCCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCOC)c12.CCCCNc1nc(C)nc2ccn(CCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)c(Cl)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(F)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.CCC[C@@H](CO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.
What is the InChIKey of (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is BNJWVCHQBYYWSR-JYJZUJMJSA-N. The full InChI is InChI=1S/C20H26N4.C19H24N4O.C19H24N4.C18H20ClFN4.C18H21FN4.C18H23N5.C17H21N5.C14H22N4O/c1-3-4-13-21-20-19-18(22-16(2)23-20)12-15-24(19)14-8-11-17-9-6-5-7-10-17;1-3-7-16(13-24)22-19-18-17(20-14(2)21-19)10-11-23(18)12-15-8-5-4-6-9-15;1-3-4-12-20-19-18-17(21-15(2)22-19)11-14-23(18)13-10-16-8-6-5-7-9-16;1-3-4-8-21-18-17-16(22-12(2)23-18)7-9-24(17)11-13-5-6-15(20)14(19)10-13;1-3-4-9-20-18-17-16(21-13(2)22-18)8-10-23(17)12-14-6-5-7-15(19)11-14;1-4-5-10-19-18-17-16(21-14(3)22-18)9-11-23(17)12-15-8-6-7-13(2)20-15;1-3-4-9-19-17-16-15(20-13(2)21-17)8-11-22(16)12-14-7-5-6-10-18-14;1-4-5-7-15-14-13-12(16-11(2)17-14)6-8-18(13)9-10-19-3/h5-7,9-10,12,15H,3-4,8,11,13-14H2,1-2H3,(H,21,22,23);4-6,8-11,16,24H,3,7,12-13H2,1-2H3,(H,20,21,22);5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,20,21,22);5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,22,23);5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,21,22);6-9,11H,4-5,10,12H2,1-3H3,(H,19,21,22);5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21);6,8H,4-5,7,9-10H2,1-3H3,(H,15,16,17)/t;16-;;;;;;/m.0....../s1.
What are the key properties of (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
(2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 2481.71 g/mol, XLogP of 30.77, 53 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(3-phenylpropyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157403049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).