5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C107H113N41O4S — CID 159569421

About 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159569421) has the molecular formula C107H113N41O4S and a molecular weight of 2069.43 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 159569421
• Molecular Formula: C107H113N41O4S
• Molecular Weight: 2069.43 g/mol
• Exact Mass: 2067.96
• IUPAC Name: 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: COCCn1ccc2nc(N)nc(NCc3ccc(C)cn3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3noc(C)n3)c21.Cc1ccc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)nc1.Cc1nc(Cn2ccc3nc(N)nc(NC(C)c4ccccn4)c32)cs1.Cc1nc(NC(C)c2ccccn2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ncccn2)n1
• InChI: InChI=1S/2C20H20N6.C18H19N7S.C17H18N8O2.C16H16N8O.C16H20N6O/c1-14(17-8-4-6-11-22-17)23-20-19-18(24-15(2)25-20)9-12-26(19)13-16-7-3-5-10-21-16;1-14-6-7-16(22-11-14)12-23-20-19-18(24-15(2)25-20)8-10-26(19)13-17-5-3-4-9-21-17;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;1-10-20-12-4-7-24(9-14-17-5-3-6-18-14)15(12)16(21-10)19-8-13-22-11(2)25-23-13;1-11-3-4-12(18-9-11)10-19-15-14-13(20-16(17)21-15)5-6-22(14)7-8-23-2/h3-12,14H,13H2,1-2H3,(H,23,24,25);3-11H,12-13H2,1-2H3,(H,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);3-7H,8-9H2,1-2H3,(H,19,20,21);3-6,9H,7-8,10H2,1-2H3,(H3,17,19,20,21)
• InChIKey: MHPXCCKCJVSQGR-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 559.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 32
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2069.43
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

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

The IUPAC name of 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 159569421) is 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

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

The canonical SMILES for 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is COCCn1ccc2nc(N)nc(NCc3ccc(C)cn3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3noc(C)n3)c21.Cc1ccc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)nc1.Cc1nc(Cn2ccc3nc(N)nc(NC(C)c4ccccn4)c32)cs1.Cc1nc(NC(C)c2ccccn2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ncccn2)n1.

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

The InChIKey is MHPXCCKCJVSQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N6.C18H19N7S.C17H18N8O2.C16H16N8O.C16H20N6O/c1-14(17-8-4-6-11-22-17)23-20-19-18(24-15(2)25-20)9-12-26(19)13-16-7-3-5-10-21-16;1-14-6-7-16(22-11-14)12-23-20-19-18(24-15(2)25-20)8-10-26(19)13-17-5-3-4-9-21-17;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;1-10-20-12-4-7-24(9-14-17-5-3-6-18-14)15(12)16(21-10)19-8-13-22-11(2)25-23-13;1-11-3-4-12(18-9-11)10-19-15-14-13(20-16(17)21-15)5-6-22(14)7-8-23-2/h3-12,14H,13H2,1-2H3,(H,23,24,25);3-11H,12-13H2,1-2H3,(H,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);3-7H,8-9H2,1-2H3,(H,19,20,21);3-6,9H,7-8,10H2,1-2H3,(H3,17,19,20,21).

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

5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 2069.43 g/mol, XLogP of 16.27, 32 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxyethyl)-4-N-[(5-methyl-2-pyridinyl)methyl]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;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(1-pyridin-2-ylethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159569421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).