2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

C83H69N27O4S2 — CID 157369692

About 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one (PubChem CID 157369692) has the molecular formula C83H69N27O4S2 and a molecular weight of 1572.78 g/mol. Its IUPAC name is 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
• PubChem CID: 157369692
• Molecular Formula: C83H69N27O4S2
• Molecular Weight: 1572.78 g/mol
• Exact Mass: 1571.55
• IUPAC Name: 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
• SMILES: CC(Nc1nccc2[nH]cnc12)c1nc2ccsc2c(=O)n1-c1ccccc1.CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21.Cc1cccc2nc(C(C)Nc3ncnc4nc[nH]c34)n(-c3ccccc3)c(=O)c12.Cc1cccc2nc(C(C)n3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12
• InChI: InChI=1S/2C22H19N7O.C20H16N6OS.C19H15N7OS/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)21(28-16)14(2)27-20-18-19(24-11-23-18)25-12-26-20;1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28;1-12(24-18-16-14(7-9-21-18)22-11-23-16)19-25-15-8-10-28-17(15)20(27)26(19)13-5-3-2-4-6-13;1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h3-12,14H,1-2H3,(H2,23,24,25,26,27);3-12,14H,1-2H3,(H2,23,24,25);2-12H,1H3,(H,21,24)(H,22,23);2-11H,1H3,(H2,20,21,22)
• InChIKey: BJPMRKXERYUDGO-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 398.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1572.78
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one?

The IUPAC name of 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one (CID 157369692) is 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one.

What is the SMILES notation for 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one?

The canonical SMILES for 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one is CC(Nc1nccc2[nH]cnc12)c1nc2ccsc2c(=O)n1-c1ccccc1.CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21.Cc1cccc2nc(C(C)Nc3ncnc4nc[nH]c34)n(-c3ccccc3)c(=O)c12.Cc1cccc2nc(C(C)n3cnc4c(N)ncnc43)n(-c3ccccc3)c(=O)c12.

What is the InChIKey of 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one?

The InChIKey is BJPMRKXERYUDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19N7O.C20H16N6OS.C19H15N7OS/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)21(28-16)14(2)27-20-18-19(24-11-23-18)25-12-26-20;1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28;1-12(24-18-16-14(7-9-21-18)22-11-23-16)19-25-15-8-10-28-17(15)20(27)26(19)13-5-3-2-4-6-13;1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h3-12,14H,1-2H3,(H2,23,24,25,26,27);3-12,14H,1-2H3,(H2,23,24,25);2-12H,1H3,(H,21,24)(H,22,23);2-11H,1H3,(H2,20,21,22).

What are the key properties of 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one?

2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one has a molecular weight of 1572.78 g/mol, XLogP of 13.23, 14 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 157369692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).