4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C106H102N34O8 — CID 159827195

About 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159827195) has the molecular formula C106H102N34O8 and a molecular weight of 1980.21 g/mol. Its IUPAC name is 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 159827195
• Molecular Formula: C106H102N34O8
• Molecular Weight: 1980.21 g/mol
• Exact Mass: 1978.86
• IUPAC Name: 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)(C)c1cnc(-c2nc(N)c3c(n2)N(Cc2ccccc2)C(=O)C3)[nH]1.CC(C)c1cnc(-c2nc(N)c3c(n2)N(Cc2ccccc2)C(=O)C3)[nH]1.Nc1nc(-c2ccco2)nc2c1CC(=O)N2Cc1ccccc1.Nc1nc(-c2ccn[nH]2)nc2c1CC(=O)N2Cc1ccccc1.Nc1nc(-c2cn[nH]c2)nc2c1CC(=O)N2Cc1ccccc1.Nc1nc(-c2nccn2CCO)nc2c1CC(=O)N2Cc1ccccc1
• InChI: InChI=1S/C20H22N6O.C19H20N6O.C18H18N6O2.C17H14N4O2.2C16H14N6O/c1-20(2,3)14-10-22-17(23-14)18-24-16(21)13-9-15(27)26(19(13)25-18)11-12-7-5-4-6-8-12;1-11(2)14-9-21-17(22-14)18-23-16(20)13-8-15(26)25(19(13)24-18)10-12-6-4-3-5-7-12;19-15-13-10-14(26)24(11-12-4-2-1-3-5-12)17(13)22-16(21-15)18-20-6-7-23(18)8-9-25;18-15-12-9-14(22)21(10-11-5-2-1-3-6-11)17(12)20-16(19-15)13-7-4-8-23-13;17-14-12-6-13(23)22(9-10-4-2-1-3-5-10)16(12)21-15(20-14)11-7-18-19-8-11;17-14-11-8-13(23)22(9-10-4-2-1-3-5-10)16(11)20-15(19-14)12-6-7-18-21-12/h4-8,10H,9,11H2,1-3H3,(H,22,23)(H2,21,24,25);3-7,9,11H,8,10H2,1-2H3,(H,21,22)(H2,20,23,24);1-7,25H,8-11H2,(H2,19,21,22);1-8H,9-10H2,(H2,18,19,20);1-5,7-8H,6,9H2,(H,18,19)(H2,17,20,21);1-7H,8-9H2,(H,18,21)(H2,17,19,20)
• InChIKey: NMZLHUFLVDIDPQ-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 598.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.21
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159827195) is 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)(C)c1cnc(-c2nc(N)c3c(n2)N(Cc2ccccc2)C(=O)C3)[nH]1.CC(C)c1cnc(-c2nc(N)c3c(n2)N(Cc2ccccc2)C(=O)C3)[nH]1.Nc1nc(-c2ccco2)nc2c1CC(=O)N2Cc1ccccc1.Nc1nc(-c2ccn[nH]2)nc2c1CC(=O)N2Cc1ccccc1.Nc1nc(-c2cn[nH]c2)nc2c1CC(=O)N2Cc1ccccc1.Nc1nc(-c2nccn2CCO)nc2c1CC(=O)N2Cc1ccccc1.

What is the InChIKey of 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is NMZLHUFLVDIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C19H20N6O.C18H18N6O2.C17H14N4O2.2C16H14N6O/c1-20(2,3)14-10-22-17(23-14)18-24-16(21)13-9-15(27)26(19(13)25-18)11-12-7-5-4-6-8-12;1-11(2)14-9-21-17(22-14)18-23-16(20)13-8-15(26)25(19(13)24-18)10-12-6-4-3-5-7-12;19-15-13-10-14(26)24(11-12-4-2-1-3-5-12)17(13)22-16(21-15)18-20-6-7-23(18)8-9-25;18-15-12-9-14(22)21(10-11-5-2-1-3-6-11)17(12)20-16(19-15)13-7-4-8-23-13;17-14-12-6-13(23)22(9-10-4-2-1-3-5-10)16(12)21-15(20-14)11-7-18-19-8-11;17-14-11-8-13(23)22(9-10-4-2-1-3-5-10)16(11)20-15(19-14)12-6-7-18-21-12/h4-8,10H,9,11H2,1-3H3,(H,22,23)(H2,21,24,25);3-7,9,11H,8,10H2,1-2H3,(H,21,22)(H2,20,23,24);1-7,25H,8-11H2,(H2,19,21,22);1-8H,9-10H2,(H2,18,19,20);1-5,7-8H,6,9H2,(H,18,19)(H2,17,20,21);1-7H,8-9H2,(H,18,21)(H2,17,19,20).

What are the key properties of 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1980.21 g/mol, XLogP of 11.99, 21 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-benzyl-2-(5-tert-butyl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(furan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-[1-(2-hydroxyethyl)imidazol-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(5-propan-2-yl-1H-imidazol-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-benzyl-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159827195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).