4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C106H110N44O2S — CID 163758046

About 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163758046) has the molecular formula C106H110N44O2S and a molecular weight of 2064.42 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 163758046
• Molecular Formula: C106H110N44O2S
• Molecular Weight: 2064.42 g/mol
• Exact Mass: 2062.96
• IUPAC Name: 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1.Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nn1C.Cc1cc(CNc2nc(N)nc3ccn(Cc4csc(C)n4)c23)no1.Cc1ccc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nc1.Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1.Cn1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)c1
• InChI: InChI=1S/2C19H19N7.C18H20N8.C17H18N8.C17H17N7O.C16H17N7OS/c1-13(15-7-3-5-10-22-15)23-18-17-16(24-19(20)25-18)8-11-26(17)12-14-6-2-4-9-21-14;1-13-5-6-14(22-10-13)11-23-18-17-16(24-19(20)25-18)7-9-26(17)12-15-4-2-3-8-21-15;1-12-9-14(24-25(12)2)10-21-17-16-15(22-18(19)23-17)6-8-26(16)11-13-5-3-4-7-20-13;1-24-9-13(21-11-24)8-20-16-15-14(22-17(18)23-16)5-7-25(15)10-12-4-2-3-6-19-12;1-11-8-20-14(25-11)9-21-16-15-13(22-17(18)23-16)5-7-24(15)10-12-4-2-3-6-19-12;1-9-5-11(22-24-9)6-18-15-14-13(20-16(17)21-15)3-4-23(14)7-12-8-25-10(2)19-12/h2-11,13H,12H2,1H3,(H3,20,23,24,25);2-10H,11-12H2,1H3,(H3,20,23,24,25);3-9H,10-11H2,1-2H3,(H3,19,21,22,23);2-7,9,11H,8,10H2,1H3,(H3,18,20,22,23);2-8H,9-10H2,1H3,(H3,18,21,22,23);3-5,8H,6-7H2,1-2H3,(H3,17,18,20,21)
• InChIKey: LVUNJRVNTXFBHP-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 603.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.42
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163758046) is 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is CC(Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1.Cc1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nn1C.Cc1cc(CNc2nc(N)nc3ccn(Cc4csc(C)n4)c23)no1.Cc1ccc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nc1.Cc1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)o1.Cn1cnc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)c1.

What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is LVUNJRVNTXFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N7.C18H20N8.C17H18N8.C17H17N7O.C16H17N7OS/c1-13(15-7-3-5-10-22-15)23-18-17-16(24-19(20)25-18)8-11-26(17)12-14-6-2-4-9-21-14;1-13-5-6-14(22-10-13)11-23-18-17-16(24-19(20)25-18)7-9-26(17)12-15-4-2-3-8-21-15;1-12-9-14(24-25(12)2)10-21-17-16-15(22-18(19)23-17)6-8-26(16)11-13-5-3-4-7-20-13;1-24-9-13(21-11-24)8-20-16-15-14(22-17(18)23-16)5-7-25(15)10-12-4-2-3-6-19-12;1-11-8-20-14(25-11)9-21-16-15-13(22-17(18)23-16)5-7-24(15)10-12-4-2-3-6-19-12;1-9-5-11(22-24-9)6-18-15-14-13(20-16(17)21-15)3-4-23(14)7-12-8-25-10(2)19-12/h2-11,13H,12H2,1H3,(H3,20,23,24,25);2-10H,11-12H2,1H3,(H3,20,23,24,25);3-9H,10-11H2,1-2H3,(H3,19,21,22,23);2-7,9,11H,8,10H2,1H3,(H3,18,20,22,23);2-8H,9-10H2,1H3,(H3,18,21,22,23);3-5,8H,6-7H2,1-2H3,(H3,17,18,20,21).

What are the key properties of 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 2064.42 g/mol, XLogP of 14.81, 30 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163758046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).