5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

C88H92F4N34O9 — CID 163640992

About 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163640992) has the molecular formula C88H92F4N34O9 and a molecular weight of 1845.92 g/mol. Its IUPAC name is 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 163640992
• Molecular Formula: C88H92F4N34O9
• Molecular Weight: 1845.92 g/mol
• Exact Mass: 1844.77
• IUPAC Name: 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: COCCNc1nc(N)nc2ccn(Cc3ccncc3OC)c12.COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1OC.COc1cnccc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(C(F)(F)F)cn4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4F)c23)no1
• InChI: InChI=1S/C19H21N7O3.C18H16F3N7O.C18H19N7O2.C17H16FN7O.C16H20N6O2/c1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3;1-10-6-13(27-29-10)8-24-16-15-14(25-17(22)26-16)4-5-28(15)9-12-3-2-11(7-23-12)18(19,20)21;1-11-7-13(24-27-11)8-21-17-16-14(22-18(19)23-17)4-6-25(16)10-12-3-5-20-9-15(12)26-2;1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14;1-23-8-6-19-15-14-12(20-16(17)21-15)4-7-22(14)10-11-3-5-18-9-13(11)24-2/h4-8H,9-10H2,1-3H3,(H3,20,21,23,24);2-7H,8-9H2,1H3,(H3,22,24,25,26);3-7,9H,8,10H2,1-2H3,(H3,19,21,22,23);2-7H,8-9H2,1H3,(H3,19,21,22,23);3-5,7,9H,6,8,10H2,1-2H3,(H3,17,19,20,21)
• InChIKey: IEFVJSLPILQPRA-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 558.52 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1845.92
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163640992) is 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccn(Cc3ccncc3OC)c12.COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1OC.COc1cnccc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1cc(CNc2nc(N)nc3ccn(Cc4ccc(C(F)(F)F)cn4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4F)c23)no1.

What is the InChIKey of 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is IEFVJSLPILQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3.C18H16F3N7O.C18H19N7O2.C17H16FN7O.C16H20N6O2/c1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3;1-10-6-13(27-29-10)8-24-16-15-14(25-17(22)26-16)4-5-28(15)9-12-3-2-11(7-23-12)18(19,20)21;1-11-7-13(24-27-11)8-21-17-16-14(22-18(19)23-17)4-6-25(16)10-12-3-5-20-9-15(12)26-2;1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14;1-23-8-6-19-15-14-12(20-16(17)21-15)4-7-22(14)10-11-3-5-18-9-13(11)24-2/h4-8H,9-10H2,1-3H3,(H3,20,21,23,24);2-7H,8-9H2,1H3,(H3,22,24,25,26);3-7,9H,8,10H2,1-2H3,(H3,19,21,22,23);2-7H,8-9H2,1H3,(H3,19,21,22,23);3-5,7,9H,6,8,10H2,1-2H3,(H3,17,19,20,21).

What are the key properties of 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1845.92 g/mol, XLogP of 12.17, 30 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-4-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163640992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).