1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione

C143H212N36O28 — CID 159490299

IUPAC1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione
SMILESCCC1(O)CCC(Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1.CCC1(O)CCCC(CCn2c(=O)c3c(ncn3C)n(C)c2=O)C1.COCC1(Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCC(C)(O)CC1.Cn1cnc2c1c(=O)n(CC1(C)CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)C1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C3(O)CC3)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CCC1CCC(C)(O)CC1)c(=O)n2C
InChIInChI=1S/C17H26N4O4.C17H24N4O3.C17H26N4O3.3C16H24N4O3.2C15H22N4O3.C14H20N4O3/c1-16(24)5-7-17(8-6-16,10-25-4)9-21-14(22)12-13(18-11-19(12)2)20(3)15(21)23;1-19-10-18-14-13(19)15(22)21(16(23)20(14)2)9-11-3-5-12(6-4-11)17(24)7-8-17;1-4-17(24)8-5-6-12(10-17)7-9-21-15(22)13-14(18-11-19(13)2)20(3)16(21)23;1-15(5-7-16(2,23)8-6-15)9-20-13(21)11-12(17-10-18(11)3)19(4)14(20)22;1-16(23)7-4-11(5-8-16)6-9-20-14(21)12-13(17-10-18(12)2)19(3)15(20)22;1-4-16(23)7-5-11(6-8-16)9-20-14(21)12-13(17-10-18(12)2)19(3)15(20)22;2*1-15(22)6-4-10(5-7-15)8-19-13(20)11-12(16-9-17(11)2)18(3)14(19)21;1-14(21)5-4-9(6-14)7-18-12(19)10-11(15-8-16(10)2)17(3)13(18)20/h11,24H,5-10H2,1-4H3;10-12,24H,3-9H2,1-2H3;11-12,24H,4-10H2,1-3H3;10,23H,5-9H2,1-4H3;2*10-11,23H,4-9H2,1-3H3;2*9-10,22H,4-8H2,1-3H3;8-9,21H,4-7H2,1-3H3
InChIKeyLYCJIBHGCHRVQP-UHFFFAOYSA-N
MW2883.49 g/mol
LogP5.34
Rot. Bonds25

About 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione

1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione (PubChem CID 159490299) has the molecular formula C143H212N36O28 and a molecular weight of 2883.49 g/mol. Its IUPAC name is 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione
PubChem CID159490299
Molecular FormulaC143H212N36O28
Molecular Weight2883.49 g/mol
Exact Mass2881.63
IUPAC Name1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione
SMILESCCC1(O)CCC(Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1.CCC1(O)CCCC(CCn2c(=O)c3c(ncn3C)n(C)c2=O)C1.COCC1(Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCC(C)(O)CC1.Cn1cnc2c1c(=O)n(CC1(C)CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)C1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C3(O)CC3)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CCC1CCC(C)(O)CC1)c(=O)n2C
InChIInChI=1S/C17H26N4O4.C17H24N4O3.C17H26N4O3.3C16H24N4O3.2C15H22N4O3.C14H20N4O3/c1-16(24)5-7-17(8-6-16,10-25-4)9-21-14(22)12-13(18-11-19(12)2)20(3)15(21)23;1-19-10-18-14-13(19)15(22)21(16(23)20(14)2)9-11-3-5-12(6-4-11)17(24)7-8-17;1-4-17(24)8-5-6-12(10-17)7-9-21-15(22)13-14(18-11-19(13)2)20(3)16(21)23;1-15(5-7-16(2,23)8-6-15)9-20-13(21)11-12(17-10-18(11)3)19(4)14(20)22;1-16(23)7-4-11(5-8-16)6-9-20-14(21)12-13(17-10-18(12)2)19(3)15(20)22;1-4-16(23)7-5-11(6-8-16)9-20-14(21)12-13(17-10-18(12)2)19(3)15(20)22;2*1-15(22)6-4-10(5-7-15)8-19-13(20)11-12(16-9-17(11)2)18(3)14(19)21;1-14(21)5-4-9(6-14)7-18-12(19)10-11(15-8-16(10)2)17(3)13(18)20/h11,24H,5-10H2,1-4H3;10-12,24H,3-9H2,1-2H3;11-12,24H,4-10H2,1-3H3;10,23H,5-9H2,1-4H3;2*10-11,23H,4-9H2,1-3H3;2*9-10,22H,4-8H2,1-3H3;8-9,21H,4-7H2,1-3H3
InChIKeyLYCJIBHGCHRVQP-UHFFFAOYSA-N
XLogP5.34
TPSA747.68 Ų
H-Bond Donors9
H-Bond Acceptors64
Rotatable Bonds25
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002883.49
LogP ≤ 55.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1064

Analyze 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione with MolForge

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Related Compounds

7-(difluoromethyl)-1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3-methylpurine-2,6-dione;1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[2-[(1-hydroxycyclobutyl)methoxy]ethyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(3-hydroxy-3-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[(5-hydroxy-5-methyloxan-2-yl)methyl]-3,7-dimethylpurine-2,6-dione
CID 158279302
1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(5S)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione;bis(1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione);1-[[(1R)-3-hydroxy-3-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[(1S)-3-hydroxy-3-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;bis(1-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione)
CID 159067192
1-[[3-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione
CID 121279253
1-[[(1R,3S)-3-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione
CID 141439483
1-[2-(4-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione
CID 129099904
1-[[3-(2-cyclobutylethyl)oxetan-3-yl]methyl]-3,7-dimethylpurine-2,6-dione
CID 145188786
7-(cyclopropylmethyl)-1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3-methylpurine-2,6-dione;3,7-dimethyl-1-[[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclobutyl]methyl]purine-2,6-dione;3,7-dimethyl-1-[[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopropyl]methyl]purine-2,6-dione;1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione;1-[[4-(3-hydroxypentan-3-yl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;bis(1-[[3-(2-hydroxypropan-2-yl)cyclobutyl]methyl]-3,7-dimethylpurine-2,6-dione);bis(1-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione)
CID 159034286
3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]purine-2,6-dione
CID 121279345
1-[(4-acetylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;3,7-dimethyl-1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]methyl]purine-2,6-dione
CID 158889283
1-(5,8-dioxaspiro[3.4]octan-2-ylmethyl)-3,7-dimethylpurine-2,6-dione
CID 121279311
1-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclobutyl]methyl]-3,7-dimethylpurine-2,6-dione;1-(trifluoromethyl)cyclopentan-1-ol;1,3,7-trimethylpurine-2,6-dione
CID 145301431
3,7-dimethyl-1-[(4-oxocyclohexyl)methyl]purine-2,6-dione;1-(5,8-dioxaspiro[3.4]octan-2-ylmethyl)-3,7-dimethylpurine-2,6-dione
CID 161496424

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione (CID 159490299) is 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione is CCC1(O)CCC(Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1.CCC1(O)CCCC(CCn2c(=O)c3c(ncn3C)n(C)c2=O)C1.COCC1(Cn2c(=O)c3c(ncn3C)n(C)c2=O)CCC(C)(O)CC1.Cn1cnc2c1c(=O)n(CC1(C)CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)C1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CC1CCC(C3(O)CC3)CC1)c(=O)n2C.Cn1cnc2c1c(=O)n(CCC1CCC(C)(O)CC1)c(=O)n2C.
What is the InChIKey of 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione?
The InChIKey is LYCJIBHGCHRVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4.C17H24N4O3.C17H26N4O3.3C16H24N4O3.2C15H22N4O3.C14H20N4O3/c1-16(24)5-7-17(8-6-16,10-25-4)9-21-14(22)12-13(18-11-19(12)2)20(3)15(21)23;1-19-10-18-14-13(19)15(22)21(16(23)20(14)2)9-11-3-5-12(6-4-11)17(24)7-8-17;1-4-17(24)8-5-6-12(10-17)7-9-21-15(22)13-14(18-11-19(13)2)20(3)16(21)23;1-15(5-7-16(2,23)8-6-15)9-20-13(21)11-12(17-10-18(11)3)19(4)14(20)22;1-16(23)7-4-11(5-8-16)6-9-20-14(21)12-13(17-10-18(12)2)19(3)15(20)22;1-4-16(23)7-5-11(6-8-16)9-20-14(21)12-13(17-10-18(12)2)19(3)15(20)22;2*1-15(22)6-4-10(5-7-15)8-19-13(20)11-12(16-9-17(11)2)18(3)14(19)21;1-14(21)5-4-9(6-14)7-18-12(19)10-11(15-8-16(10)2)17(3)13(18)20/h11,24H,5-10H2,1-4H3;10-12,24H,3-9H2,1-2H3;11-12,24H,4-10H2,1-3H3;10,23H,5-9H2,1-4H3;2*10-11,23H,4-9H2,1-3H3;2*9-10,22H,4-8H2,1-3H3;8-9,21H,4-7H2,1-3H3.
What are the key properties of 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione?
1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione has a molecular weight of 2883.49 g/mol, XLogP of 5.34, 25 rotatable bonds, 9 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-3-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;1-[(4-ethyl-4-hydroxycyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(1-hydroxycyclopropyl)cyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[(4-hydroxy-1,4-dimethylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-hydroxy-1-(methoxymethyl)-4-methylcyclohexyl]methyl]-3,7-dimethylpurine-2,6-dione;1-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione;bis(1-[(4-hydroxy-4-methylcyclohexyl)methyl]-3,7-dimethylpurine-2,6-dione);1-[(3-hydroxy-3-methylcyclopentyl)methyl]-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 159490299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).