6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione

C110H166N26O25 — CID 157151483

IUPAC6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione
SMILESCC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCC(=O)O.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CN.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OCc1ccccc1.CCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.CCCCCCCCCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.CC[C@H](C)C(N)C(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C23H38N4O4.C20H26N4O3.C19H31N5O4.C17H24N4O6.C16H24N4O4.C15H23N5O4/c1-5-6-7-8-9-10-11-15-19(28)31-18(2)14-12-13-16-27-22(29)20-21(24-17-25(20)3)26(4)23(27)30;1-15(27-13-16-10-5-4-6-11-16)9-7-8-12-24-19(25)17-18(21-14-22(17)2)23(3)20(24)26;1-6-12(2)14(20)18(26)28-13(3)9-7-8-10-24-17(25)15-16(21-11-22(15)4)23(5)19(24)27;1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26;1-5-12(21)24-11(2)8-6-7-9-20-15(22)13-14(17-10-18(13)3)19(4)16(20)23;1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h17-18H,5-16H2,1-4H3;4-6,10-11,14-15H,7-9,12-13H2,1-3H3;11-14H,6-10,20H2,1-5H3;10-11H,4-9H2,1-3H3,(H,22,23);10-11H,5-9H2,1-4H3;9-10H,4-8,16H2,1-3H3/t;;12-,13?,14?;;;/m..0.../s1
InChIKeyALHMSVIQRKNNDX-FZSCBCAGSA-N
MW2252.69 g/mol
LogP7.64
Rot. Bonds54

About 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione

6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione (PubChem CID 157151483) has the molecular formula C110H166N26O25 and a molecular weight of 2252.69 g/mol. Its IUPAC name is 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione.

Molecular Properties

Compound Name6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione
PubChem CID157151483
Molecular FormulaC110H166N26O25
Molecular Weight2252.69 g/mol
Exact Mass2251.25
IUPAC Name6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione
SMILESCC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCC(=O)O.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CN.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OCc1ccccc1.CCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.CCCCCCCCCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.CC[C@H](C)C(N)C(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C23H38N4O4.C20H26N4O3.C19H31N5O4.C17H24N4O6.C16H24N4O4.C15H23N5O4/c1-5-6-7-8-9-10-11-15-19(28)31-18(2)14-12-13-16-27-22(29)20-21(24-17-25(20)3)26(4)23(27)30;1-15(27-13-16-10-5-4-6-11-16)9-7-8-12-24-19(25)17-18(21-14-22(17)2)23(3)20(24)26;1-6-12(2)14(20)18(26)28-13(3)9-7-8-10-24-17(25)15-16(21-11-22(15)4)23(5)19(24)27;1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26;1-5-12(21)24-11(2)8-6-7-9-20-15(22)13-14(17-10-18(13)3)19(4)16(20)23;1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h17-18H,5-16H2,1-4H3;4-6,10-11,14-15H,7-9,12-13H2,1-3H3;11-14H,6-10,20H2,1-5H3;10-11H,4-9H2,1-3H3,(H,22,23);10-11H,5-9H2,1-4H3;9-10H,4-8,16H2,1-3H3/t;;12-,13?,14?;;;/m..0.../s1
InChIKeyALHMSVIQRKNNDX-FZSCBCAGSA-N
XLogP7.64
TPSA600.99 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds54
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.69
LogP ≤ 57.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione with MolForge

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Related Compounds

benzyl 5-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxypentanoate;butyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate;N-(3,3-difluorobutyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;methyl 2-(2,6-dioxo-1,3-dipropylpurin-7-yl)acetate
CID 158120893
2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperidin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 159697524
7-But-2-ynyl-3-cyclobutyl-1-methyl-8-piperazin-1-ylpurine-2,6-dione;2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetamide;7-but-2-ynyl-1-methyl-3-(oxolan-2-ylmethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 160094570
2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 161252227
tert-butyl N-[(3R)-1-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecylamino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate;tert-butyl N-[1-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecylamino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate;N-decyl-N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]acetamide
CID 53960012
N-[1,4-bis(methylperoxy)butan-2-yl]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-hydroxy-1-methylperoxybutan-2-yl)undecanamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[1-(4-hydroxyphenyl)-3-methylperoxypropan-2-yl]undecanamide;11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-methyl-1-methylperoxypentan-2-yl)undecanamide
CID 54243250
benzyl N-[1-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;benzyl N-[1-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecylamino]-1-oxopropan-2-yl]carbamate;N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]pyrrolidine-2-carboxamide
CID 54327593
[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-3-acetyloxypropyl] acetate;[3-acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-(carbamoylamino)-3-methylbutanoate;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
CID 157254496
6-(3,7-Dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;1-(5-methoxyhexyl)-3,7-dimethylpurine-2,6-dione
CID 158018812
[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-3-acetyloxypropyl] acetate;[3-acetyloxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate;[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
CID 158101383
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl benzoate;[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] 2,2-dimethylpropanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methoxyacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxymethyl 2,2-dimethylpropanoate;1-(5-methoxyhexyl)-3,7-dimethylpurine-2,6-dione
CID 158549473
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminobenzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-amino-3-methylbutanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl N,N-dimethylcarbamate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 4-hydroxybenzoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-methylbenzoate
CID 159318956

Frequently Asked Questions

What is the IUPAC name of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione?
The IUPAC name of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione (CID 157151483) is 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione.
What is the SMILES notation for 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione?
The canonical SMILES for 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione is CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CCC(=O)O.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OC(=O)CN.CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)OCc1ccccc1.CCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.CCCCCCCCCC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.CC[C@H](C)C(N)C(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione?
The InChIKey is ALHMSVIQRKNNDX-FZSCBCAGSA-N. The full InChI is InChI=1S/C23H38N4O4.C20H26N4O3.C19H31N5O4.C17H24N4O6.C16H24N4O4.C15H23N5O4/c1-5-6-7-8-9-10-11-15-19(28)31-18(2)14-12-13-16-27-22(29)20-21(24-17-25(20)3)26(4)23(27)30;1-15(27-13-16-10-5-4-6-11-16)9-7-8-12-24-19(25)17-18(21-14-22(17)2)23(3)20(24)26;1-6-12(2)14(20)18(26)28-13(3)9-7-8-10-24-17(25)15-16(21-11-22(15)4)23(5)19(24)27;1-11(27-13(24)8-7-12(22)23)6-4-5-9-21-16(25)14-15(18-10-19(14)2)20(3)17(21)26;1-5-12(21)24-11(2)8-6-7-9-20-15(22)13-14(17-10-18(13)3)19(4)16(20)23;1-10(24-11(21)8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h17-18H,5-16H2,1-4H3;4-6,10-11,14-15H,7-9,12-13H2,1-3H3;11-14H,6-10,20H2,1-5H3;10-11H,4-9H2,1-3H3,(H,22,23);10-11H,5-9H2,1-4H3;9-10H,4-8,16H2,1-3H3/t;;12-,13?,14?;;;/m..0.../s1.
What are the key properties of 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione?
6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione has a molecular weight of 2252.69 g/mol, XLogP of 7.64, 54 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-aminoacetate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl (3S)-2-amino-3-methylpentanoate;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl decanoate;4-[6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yloxy]-4-oxobutanoic acid;6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl propanoate;3,7-dimethyl-1-(5-phenylmethoxyhexyl)purine-2,6-dione is sourced from PubChem (CID 157151483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).