5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C89H92N38O2S — CID 163717429

About 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163717429) has the molecular formula C89H92N38O2S and a molecular weight of 1758.05 g/mol. Its IUPAC name is 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 163717429
• Molecular Formula: C89H92N38O2S
• Molecular Weight: 1758.05 g/mol
• Exact Mass: 1756.80
• IUPAC Name: 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: COc1cccnc1Cn1ccc2nc(N)nc(NCc3noc(C)n3)c21.C[C@@H](Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1.C[C@H](Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1.Cc1nc(Cn2ccc3nc(N)nc(NC(C)c4ccccn4)c32)cs1.Cn1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nn1
• InChI: InChI=1S/2C19H19N7.C18H19N7S.C17H18N8O2.C16H17N9/c2*1-13(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;1-11(14-5-3-4-7-20-14)21-17-16-15(23-18(19)24-17)6-8-25(16)9-13-10-26-12(2)22-13;1-10-21-14(24-27-10)8-20-16-15-11(22-17(18)23-16)5-7-25(15)9-12-13(26-2)4-3-6-19-12;1-24-9-12(22-23-24)8-19-15-14-13(20-16(17)21-15)5-7-25(14)10-11-4-2-3-6-18-11/h2*2-11,13H,12H2,1H3,(H3,20,23,24,25);3-8,10-11H,9H2,1-2H3,(H3,19,21,23,24);3-7H,8-9H2,1-2H3,(H3,18,20,22,23);2-7,9H,8,10H2,1H3,(H3,17,19,20,21)/t2*13-;;;/m10.../s1
• InChIKey: KOPFZWRCAVQLEY-DVJSGNNJSA-N
• XLogP: 12.41
• TPSA: 525.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1758.05
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163717429) is 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is COc1cccnc1Cn1ccc2nc(N)nc(NCc3noc(C)n3)c21.C[C@@H](Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1.C[C@H](Nc1nc(N)nc2ccn(Cc3ccccn3)c12)c1ccccn1.Cc1nc(Cn2ccc3nc(N)nc(NC(C)c4ccccn4)c32)cs1.Cn1cc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nn1.

What is the InChIKey of 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is KOPFZWRCAVQLEY-DVJSGNNJSA-N. The full InChI is InChI=1S/2C19H19N7.C18H19N7S.C17H18N8O2.C16H17N9/c2*1-13(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;1-11(14-5-3-4-7-20-14)21-17-16-15(23-18(19)24-17)6-8-25(16)9-13-10-26-12(2)22-13;1-10-21-14(24-27-10)8-20-16-15-11(22-17(18)23-16)5-7-25(15)9-12-13(26-2)4-3-6-19-12;1-24-9-12(22-23-24)8-19-15-14-13(20-16(17)21-15)5-7-25(14)10-11-4-2-3-6-18-11/h2*2-11,13H,12H2,1H3,(H3,20,23,24,25);3-8,10-11H,9H2,1-2H3,(H3,19,21,23,24);3-7H,8-9H2,1-2H3,(H3,18,20,22,23);2-7,9H,8,10H2,1H3,(H3,17,19,20,21)/t2*13-;;;/m10.../s1.

What are the key properties of 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1758.05 g/mol, XLogP of 12.41, 26 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1-methyltriazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163717429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).