7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione

C124H145F3N40O24 — CID 159961725

About 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione

7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 159961725) has the molecular formula C124H145F3N40O24 and a molecular weight of 2636.77 g/mol. Its IUPAC name is 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159961725
• Molecular Formula: C124H145F3N40O24
• Molecular Weight: 2636.77 g/mol
• Exact Mass: 2635.13
• IUPAC Name: 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
• SMILES: Cn1c(=O)c2c(ccn2C)n(C)c1=O.Cn1c(=O)c2c(cnn2CC(F)(F)F)n(C)c1=O.Cn1c(=O)c2c(cnn2CC2CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC2CCCC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC2CCCCC2)n(C)c1=O.Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O.Cn1c(=O)c2cc[nH]c2n(C)c1=O.Cn1c(=O)c2ccccc2n(C)c1=O.Cn1c(=O)c2ccccc2n(C)c1=O.Cn1c(=O)c2cccnc2n(C)c1=O.Cn1c(=O)c2ccn(C)c2n(C)c1=O.Cn1cc2c(n1)c(=O)n(C)c(=O)n2C
• InChI: InChI=1S/C14H20N4O2.C14H14N4O2.C13H18N4O2.C11H14N4O2.2C10H10N2O2.C9H9F3N4O2.2C9H11N3O2.C9H9N3O2.C8H10N4O2.C8H9N3O2/c2*1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10;1-15-11-10(12(18)16(2)13(15)19)17(8-14-11)7-9-5-3-4-6-9;1-13-8-5-12-15(6-7-3-4-7)9(8)10(16)14(2)11(13)17;2*1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14;1-14-5-3-13-16(4-9(10,11)12)6(5)7(17)15(2)8(14)18;1-10-5-4-6-7(10)8(13)12(3)9(14)11(6)2;1-10-5-4-6-7(10)11(2)9(14)12(3)8(6)13;1-11-7-6(4-3-5-10-7)8(13)12(2)9(11)14;1-10-4-5-6(9-10)7(13)12(3)8(14)11(5)2;1-10-6-5(3-4-9-6)7(12)11(2)8(10)13/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8-9H,3-7H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*3-6H,1-2H3;3H,4H2,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;4H,1-3H3;3-4,9H,1-2H3
• InChIKey: ODKLWXSJJPCJJP-UHFFFAOYSA-N
• XLogP: -0.25
• TPSA: 673.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 63
• Rotatable Bonds: 9
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2636.77
LogP ≤ 5	-0.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 159961725) is 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(ccn2C)n(C)c1=O.Cn1c(=O)c2c(cnn2CC(F)(F)F)n(C)c1=O.Cn1c(=O)c2c(cnn2CC2CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC2CCCC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC2CCCCC2)n(C)c1=O.Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O.Cn1c(=O)c2cc[nH]c2n(C)c1=O.Cn1c(=O)c2ccccc2n(C)c1=O.Cn1c(=O)c2ccccc2n(C)c1=O.Cn1c(=O)c2cccnc2n(C)c1=O.Cn1c(=O)c2ccn(C)c2n(C)c1=O.Cn1cc2c(n1)c(=O)n(C)c(=O)n2C.

What is the InChIKey of 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?

The InChIKey is ODKLWXSJJPCJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.C14H14N4O2.C13H18N4O2.C11H14N4O2.2C10H10N2O2.C9H9F3N4O2.2C9H11N3O2.C9H9N3O2.C8H10N4O2.C8H9N3O2/c2*1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10;1-15-11-10(12(18)16(2)13(15)19)17(8-14-11)7-9-5-3-4-6-9;1-13-8-5-12-15(6-7-3-4-7)9(8)10(16)14(2)11(13)17;2*1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14;1-14-5-3-13-16(4-9(10,11)12)6(5)7(17)15(2)8(14)18;1-10-5-4-6-7(10)8(13)12(3)9(14)11(6)2;1-10-5-4-6-7(10)11(2)9(14)12(3)8(6)13;1-11-7-6(4-3-5-10-7)8(13)12(2)9(11)14;1-10-4-5-6(9-10)7(13)12(3)8(14)11(5)2;1-10-6-5(3-4-9-6)7(12)11(2)8(10)13/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8-9H,3-7H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*3-6H,1-2H3;3H,4H2,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;4H,1-3H3;3-4,9H,1-2H3.

What are the key properties of 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?

7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2636.77 g/mol, XLogP of -0.25, 9 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-1,3-dimethylpurine-2,6-dione;7-(cyclohexylmethyl)-1,3-dimethylpurine-2,6-dione;7-(cyclopentylmethyl)-1,3-dimethylpurine-2,6-dione;1-(cyclopropylmethyl)-4,6-dimethylpyrazolo[4,5-d]pyrimidine-5,7-dione;1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;bis(1,3-dimethylquinazoline-2,4-dione);4,6-dimethyl-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-d]pyrimidine-5,7-dione;2,4,6-trimethylpyrazolo[4,3-d]pyrimidine-5,7-dione;1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;1,3,7-trimethylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159961725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).