5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C83H93N33O7S — CID 163647808

IUPAC5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCn1ccc2nc(N)nc(NC(C)COC)c21.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3ncc(C)o3)c21.Cc1coc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)n1.Cc1nnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
InChIInChI=1S/C19H20N6OS.C18H19N7O2.C17H17N7O.C16H16N8O.C13H21N5O2/c1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-11-8-21-15(27-11)9-22-17-16-12(23-18(19)24-17)5-7-25(16)10-13-14(26-2)4-3-6-20-13;1-11-10-25-14(21-11)8-20-16-15-13(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12;1-10-22-23-13(25-10)8-19-15-14-12(20-16(17)21-15)5-7-24(14)9-11-4-2-3-6-18-11;1-9(8-20-3)15-12-11-10(16-13(14)17-12)4-5-18(11)6-7-19-2/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);2-7,10H,8-9H2,1H3,(H3,18,20,22,23);2-7H,8-9H2,1H3,(H3,17,19,20,21);4-5,9H,6-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyIJSVCDWNAXMXTH-UHFFFAOYSA-N
MW1696.95 g/mol
LogP11.05
Rot. Bonds29

About 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163647808) has the molecular formula C83H93N33O7S and a molecular weight of 1696.95 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID163647808
Molecular FormulaC83H93N33O7S
Molecular Weight1696.95 g/mol
Exact Mass1695.77
IUPAC Name5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCn1ccc2nc(N)nc(NC(C)COC)c21.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3ncc(C)o3)c21.Cc1coc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)n1.Cc1nnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1
InChIInChI=1S/C19H20N6OS.C18H19N7O2.C17H17N7O.C16H16N8O.C13H21N5O2/c1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-11-8-21-15(27-11)9-22-17-16-12(23-18(19)24-17)5-7-25(16)10-13-14(26-2)4-3-6-20-13;1-11-10-25-14(21-11)8-20-16-15-13(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12;1-10-22-23-13(25-10)8-19-15-14-12(20-16(17)21-15)5-7-24(14)9-11-4-2-3-6-18-11;1-9(8-20-3)15-12-11-10(16-13(14)17-12)4-5-18(11)6-7-19-2/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);2-7,10H,8-9H2,1H3,(H3,18,20,22,23);2-7H,8-9H2,1H3,(H3,17,19,20,21);4-5,9H,6-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyIJSVCDWNAXMXTH-UHFFFAOYSA-N
XLogP11.05
TPSA523.26 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001696.95
LogP ≤ 511.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 159536902
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778
methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
CID 157311089
carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943
1,2-dimethylimidazole;1,2-dimethylpyrrole;methane;tris(2-methylcyclopenta-1,3-diene);2-methylfuran;3-methylfuran;bis(2-methyl-1,3-oxazole);2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;2-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157358559
4-Methoxy-2,5,6-trimethylpyrimidine;2,3,4,6-tetramethylpyridine;bis(2,3,5,6-tetramethylpyridine);2,3,5-trimethylfuran;1,2,4-trimethylimidazole;bis(2,4,5-trimethyl-1,3-oxazole);2,3,6-trimethylpyridine;2,4,5-trimethylpyrimidine;bis(2,4,5-trimethyl-1,3-thiazole);1,3,5-trimethyl-1,2,4-triazole
CID 157379111
5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;imidazo[1,2-a]pyridine;tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);pyrrolo[1,2-c]pyrimidine;thieno[2,3-b]pyridine
CID 157551389
5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;tris(2H-pyrrolo[2,3-c]pyridine);tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157569274
5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyridine;indolizine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);2H-pyrrolo[2,3-c]pyridine;tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,2-c]pyridine
CID 157629745
5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[d]pyrimidine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;2H-imidazo[1,2-a]pyridin-4-ium;1H-imidazo[4,5-b]pyridine;tris(2H-indole);2H-indolizin-4-ium;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;2H-pyrazolo[1,5-a]pyridin-8-ium;7H-pyrrolo[1,2-a]pyrazin-5-ium;7H-pyrrolo[1,2-a]pyrimidin-5-ium;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);6H-pyrrolo[1,2-c]pyrimidin-8-ium;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 157744504
cumene;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-5-propan-2-ylpyridine;3-propan-2-yl-1-benzothiophene;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157794955

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163647808) is 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is COCCn1ccc2nc(N)nc(NC(C)COC)c21.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3ncc(C)o3)c21.Cc1coc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)n1.Cc1nnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1.
What is the InChIKey of 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is IJSVCDWNAXMXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS.C18H19N7O2.C17H17N7O.C16H16N8O.C13H21N5O2/c1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-11-8-21-15(27-11)9-22-17-16-12(23-18(19)24-17)5-7-25(16)10-13-14(26-2)4-3-6-20-13;1-11-10-25-14(21-11)8-20-16-15-13(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12;1-10-22-23-13(25-10)8-19-15-14-12(20-16(17)21-15)5-7-24(14)9-11-4-2-3-6-18-11;1-9(8-20-3)15-12-11-10(16-13(14)17-12)4-5-18(11)6-7-19-2/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);2-7,10H,8-9H2,1H3,(H3,18,20,22,23);2-7H,8-9H2,1H3,(H3,17,19,20,21);4-5,9H,6-8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1696.95 g/mol, XLogP of 11.05, 29 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163647808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).