8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione

C103H143Cl2F3N30O13 — CID 157197356

About 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione

8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione (PubChem CID 157197356) has the molecular formula C103H143Cl2F3N30O13 and a molecular weight of 2137.37 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione.

Molecular Properties

• Compound Name: 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione
• PubChem CID: 157197356
• Molecular Formula: C103H143Cl2F3N30O13
• Molecular Weight: 2137.37 g/mol
• Exact Mass: 2135.08
• IUPAC Name: 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione
• SMILES: CC(C)N(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C.CCN(CC)CCn1c(-c2ccc(C(F)(F)F)cc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCCCC1.Cn1c(=O)c2c(ncn2CCN2CCCCC2)n(C)c1=O
• InChI: InChI=1S/C20H24F3N5O2.C20H27N5O3.C19H23Cl2N5O2.C15H23N5O2.C15H25N5O2.C14H21N5O2/c1-5-27(6-2)11-12-28-15-17(25(3)19(30)26(4)18(15)29)24-16(28)13-7-9-14(10-8-13)20(21,22)23;1-6-24(7-2)12-13-25-16-18(22(3)20(27)23(4)19(16)26)21-17(25)14-8-10-15(28-5)11-9-14;1-5-25(6-2)9-10-26-15-17(23(3)19(28)24(4)18(15)27)22-16(26)12-7-8-13(20)14(21)11-12;1-11-16-13-12(14(21)18(3)15(22)17(13)2)20(11)10-9-19-7-5-4-6-8-19;1-10(2)20(11(3)4)8-7-19-9-16-13-12(19)14(21)18(6)15(22)17(13)5;1-16-12-11(13(20)17(2)14(16)21)19(10-15-12)9-8-18-6-4-3-5-7-18/h7-10H,5-6,11-12H2,1-4H3;8-11H,6-7,12-13H2,1-5H3;7-8,11H,5-6,9-10H2,1-4H3;4-10H2,1-3H3;9-11H,7-8H2,1-6H3;10H,3-9H2,1-2H3
• InChIKey: AQKASUPWJPPGFH-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 399.59 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.37
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione?

The IUPAC name of 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione (CID 157197356) is 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione.

What is the SMILES notation for 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione?

The canonical SMILES for 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione is CC(C)N(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C.CCN(CC)CCn1c(-c2ccc(C(F)(F)F)cc2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C.CCN(CC)CCn1c(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCCCC1.Cn1c(=O)c2c(ncn2CCN2CCCCC2)n(C)c1=O.

What is the InChIKey of 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione?

The InChIKey is AQKASUPWJPPGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2.C20H27N5O3.C19H23Cl2N5O2.C15H23N5O2.C15H25N5O2.C14H21N5O2/c1-5-27(6-2)11-12-28-15-17(25(3)19(30)26(4)18(15)29)24-16(28)13-7-9-14(10-8-13)20(21,22)23;1-6-24(7-2)12-13-25-16-18(22(3)20(27)23(4)19(16)26)21-17(25)14-8-10-15(28-5)11-9-14;1-5-25(6-2)9-10-26-15-17(23(3)19(28)24(4)18(15)27)22-16(26)12-7-8-13(20)14(21)11-12;1-11-16-13-12(14(21)18(3)15(22)17(13)2)20(11)10-9-19-7-5-4-6-8-19;1-10(2)20(11(3)4)8-7-19-9-16-13-12(19)14(21)18(6)15(22)17(13)5;1-16-12-11(13(20)17(2)14(16)21)19(10-15-12)9-8-18-6-4-3-5-7-18/h7-10H,5-6,11-12H2,1-4H3;8-11H,6-7,12-13H2,1-5H3;7-8,11H,5-6,9-10H2,1-4H3;4-10H2,1-3H3;9-11H,7-8H2,1-6H3;10H,3-9H2,1-2H3.

What are the key properties of 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione?

8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione has a molecular weight of 2137.37 g/mol, XLogP of 7.36, 30 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,4-dichlorophenyl)-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione;7-[2-(diethylamino)ethyl]-8-(4-methoxyphenyl)-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione;7-[2-[di(propan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;1,3,8-trimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione is sourced from PubChem (CID 157197356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).