7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione

C89H126N20O10 — CID 160529227

IUPAC7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione
SMILESCCC(c1ccc(OC)cc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(CC)CC.CCN(CC)CCn1c(C(C)c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(C(C)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(C(c2ccccc2)C(C)C)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H33N5O3.C23H33N5O2.C22H31N5O3.C21H29N5O2/c1-7-18(16-10-12-17(31-6)13-11-16)20-24-21-19(22(29)26(5)23(30)25(21)4)28(20)15-14-27(8-2)9-3;1-7-27(8-2)14-15-28-19-21(25(5)23(30)26(6)22(19)29)24-20(28)18(16(3)4)17-12-10-9-11-13-17;1-7-26(8-2)13-14-27-18-20(24(4)22(29)25(5)21(18)28)23-19(27)15(3)16-9-11-17(30-6)12-10-16;1-6-25(7-2)13-14-26-17-19(23(4)21(28)24(5)20(17)27)22-18(26)15(3)16-11-9-8-10-12-16/h10-13,18H,7-9,14-15H2,1-6H3;9-13,16,18H,7-8,14-15H2,1-6H3;9-12,15H,7-8,13-14H2,1-6H3;8-12,15H,6-7,13-14H2,1-5H3
InChIKeyQVHTYSWOVPAPMV-UHFFFAOYSA-N
MW1636.12 g/mol
LogP8.75
Rot. Bonds32

About 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione

7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 160529227) has the molecular formula C89H126N20O10 and a molecular weight of 1636.12 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione
PubChem CID160529227
Molecular FormulaC89H126N20O10
Molecular Weight1636.12 g/mol
Exact Mass1635.00
IUPAC Name7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione
SMILESCCC(c1ccc(OC)cc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(CC)CC.CCN(CC)CCn1c(C(C)c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(C(C)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(C(c2ccccc2)C(C)C)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C23H33N5O3.C23H33N5O2.C22H31N5O3.C21H29N5O2/c1-7-18(16-10-12-17(31-6)13-11-16)20-24-21-19(22(29)26(5)23(30)25(21)4)28(20)15-14-27(8-2)9-3;1-7-27(8-2)14-15-28-19-21(25(5)23(30)26(6)22(19)29)24-20(28)18(16(3)4)17-12-10-9-11-13-17;1-7-26(8-2)13-14-27-18-20(24(4)22(29)25(5)21(18)28)23-19(27)15(3)16-9-11-17(30-6)12-10-16;1-6-25(7-2)13-14-26-17-19(23(4)21(28)24(5)20(17)27)22-18(26)15(3)16-11-9-8-10-12-16/h10-13,18H,7-9,14-15H2,1-6H3;9-13,16,18H,7-8,14-15H2,1-6H3;9-12,15H,7-8,13-14H2,1-6H3;8-12,15H,6-7,13-14H2,1-5H3
InChIKeyQVHTYSWOVPAPMV-UHFFFAOYSA-N
XLogP8.75
TPSA278.70 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.12
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

8-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione;8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
CID 56666074
7-[3-[4-[(4-Methoxyphenyl)-phenylmethyl]piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
CID 44352578
7-[(3-Methoxyphenyl)methyl]-1,3-dimethyl-8-(4-phenylphenoxy)purine-2,6-dione
CID 1288387
8-(3-Aminopiperidin-1-yl)-3-benzyl-7-[[2-(difluoromethoxy)phenyl]methyl]purine-2,6-dione;8-(3-aminopiperidin-1-yl)-7-[(3-fluorophenyl)methyl]-3-methylpurine-2,6-dione
CID 69861812
8-Butoxy-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione;8-[3-(1,1-difluoroethyl)phenyl]-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione;bis(1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(3-methylphenoxy)purine-2,6-dione);1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(3-methylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(2-propan-2-ylphenyl)purine-2,6-dione
CID 157575748
8-[3-(1,1-Difluoroethyl)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;8-(2-fluorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenoxy)-7-[(4-methylphenyl)methyl]purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
CID 157945353
7-Benzyl-8-[4-(1,1-difluoroethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-[2-(1,1-difluoroethyl)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-[4-(1,1-difluoroethyl)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(2-fluoro-3-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(3-fluoro-5-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(4-fluoro-3-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione
CID 161504663
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 162179780
tetrakis(4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol);tetrakis(1,3,7-trimethylpurine-2,6-dione)
CID 139197632
8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
CID 1265625
8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
CID 1265804
7-Benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-1-propylpurine-2,6-dione
CID 19699179

Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione (CID 160529227) is 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione is CCC(c1ccc(OC)cc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCN(CC)CC.CCN(CC)CCn1c(C(C)c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(C(C)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(C(c2ccccc2)C(C)C)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is QVHTYSWOVPAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3.C23H33N5O2.C22H31N5O3.C21H29N5O2/c1-7-18(16-10-12-17(31-6)13-11-16)20-24-21-19(22(29)26(5)23(30)25(21)4)28(20)15-14-27(8-2)9-3;1-7-27(8-2)14-15-28-19-21(25(5)23(30)26(6)22(19)29)24-20(28)18(16(3)4)17-12-10-9-11-13-17;1-7-26(8-2)13-14-27-18-20(24(4)22(29)25(5)21(18)28)23-19(27)15(3)16-9-11-17(30-6)12-10-16;1-6-25(7-2)13-14-26-17-19(23(4)21(28)24(5)20(17)27)22-18(26)15(3)16-11-9-8-10-12-16/h10-13,18H,7-9,14-15H2,1-6H3;9-13,16,18H,7-8,14-15H2,1-6H3;9-12,15H,7-8,13-14H2,1-6H3;8-12,15H,6-7,13-14H2,1-5H3.
What are the key properties of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione?
7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 1636.12 g/mol, XLogP of 8.75, 32 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(2-methyl-1-phenylpropyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-(1-phenylethyl)purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-8-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 160529227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).