N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

C73H94N24O14S — CID 159155855

About N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (PubChem CID 159155855) has the molecular formula C73H94N24O14S and a molecular weight of 1563.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
• PubChem CID: 159155855
• Molecular Formula: C73H94N24O14S
• Molecular Weight: 1563.78 g/mol
• Exact Mass: 1562.71
• IUPAC Name: N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21.CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N(C)CCN(C)C)cc3)nc2n(CCC)c1=O.CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CC)c1=O.CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC)c1=O.Cn1c(=O)[nH]c2ncn(C)c2c1=O
• InChI: InChI=1S/C22H32N6O4S.C19H24N6O4.C15H16N4O2.C10H14N4O2.C7H8N4O2/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4;1-3-24-17-15(18(27)25(4-2)19(24)28)22-16(23-17)12-5-7-13(8-6-12)29-11-14(26)21-10-9-20;1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10;1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16;1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h8-11H,6-7,12-15H2,1-5H3,(H,23,24);5-8H,3-4,9-11,20H2,1-2H3,(H,21,26)(H,22,23);5-9H,3-4H2,1-2H3,(H,16,17);5-6H,4H2,1-3H3,(H,11,12);3H,1-2H3,(H,9,13)
• InChIKey: KJWNOPMRYZYHEE-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 468.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1563.78
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?

The IUPAC name of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (CID 159155855) is N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.

What is the SMILES notation for N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?

The canonical SMILES for N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21.CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N(C)CCN(C)C)cc3)nc2n(CCC)c1=O.CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CC)c1=O.CCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CC)c1=O.Cn1c(=O)[nH]c2ncn(C)c2c1=O.

What is the InChIKey of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?

The InChIKey is KJWNOPMRYZYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4S.C19H24N6O4.C15H16N4O2.C10H14N4O2.C7H8N4O2/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4;1-3-24-17-15(18(27)25(4-2)19(24)28)22-16(23-17)12-5-7-13(8-6-12)29-11-14(26)21-10-9-20;1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10;1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16;1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h8-11H,6-7,12-15H2,1-5H3,(H,23,24);5-8H,3-4,9-11,20H2,1-2H3,(H,21,26)(H,22,23);5-9H,3-4H2,1-2H3,(H,16,17);5-6H,4H2,1-3H3,(H,11,12);3H,1-2H3,(H,9,13).

What are the key properties of N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?

N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione has a molecular weight of 1563.78 g/mol, XLogP of 2.23, 23 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-2-[4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetamide;1,3-diethyl-8-phenyl-7H-purine-2,6-dione;N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide;1,7-dimethyl-3H-purine-2,6-dione;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione is sourced from PubChem (CID 159155855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).