5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C107H111N41O8S — CID 162125477

About 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 162125477) has the molecular formula C107H111N41O8S and a molecular weight of 2131.41 g/mol. Its IUPAC name is 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 162125477
• Molecular Formula: C107H111N41O8S
• Molecular Weight: 2131.41 g/mol
• Exact Mass: 2129.93
• IUPAC Name: 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COc1cc(OC)nc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)n1.COc1ncccc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2C)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccn2)n1.Cc1nc(NCc2csc(C)n2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C19H20N6O.C18H20N8O3.C18H19N7O2.C18H18N6S.2C17H17N7O/c1-12-5-4-7-20-17(12)11-25-8-6-16-18(25)19(23-14(3)22-16)21-10-15-9-13(2)26-24-15;1-10-6-11(25-29-10)8-20-17-16-12(21-18(19)24-17)4-5-26(16)9-13-22-14(27-2)7-15(23-13)28-3;1-11-8-13(24-27-11)9-21-16-15-14(22-18(19)23-16)5-7-25(15)10-12-4-3-6-20-17(12)26-2;1-12-21-16-6-8-24(10-14-5-3-4-7-19-14)17(16)18(22-12)20-9-15-11-25-13(2)23-15;1-11-8-13(23-25-11)9-20-17-16-14(21-12(2)22-17)4-7-24(16)10-15-18-5-3-6-19-15;1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-22-12(2)25-23-15/h4-9H,10-11H2,1-3H3,(H,21,22,23);4-7H,8-9H2,1-3H3,(H3,19,20,21,24);3-8H,9-10H2,1-2H3,(H3,19,21,22,23);3-8,11H,9-10H2,1-2H3,(H,20,21,22);3-8H,9-10H2,1-2H3,(H,20,21,22);3-8H,9-10H2,1-2H3,(H,19,20,21)
• InChIKey: ZHYQZPIWQZUSBG-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 595.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 33
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2131.41
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 162125477) is 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COc1cc(OC)nc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)n1.COc1ncccc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2C)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccn2)n1.Cc1nc(NCc2csc(C)n2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is ZHYQZPIWQZUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O.C18H20N8O3.C18H19N7O2.C18H18N6S.2C17H17N7O/c1-12-5-4-7-20-17(12)11-25-8-6-16-18(25)19(23-14(3)22-16)21-10-15-9-13(2)26-24-15;1-10-6-11(25-29-10)8-20-17-16-12(21-18(19)24-17)4-5-26(16)9-13-22-14(27-2)7-15(23-13)28-3;1-11-8-13(24-27-11)9-21-16-15-14(22-18(19)23-16)5-7-25(15)10-12-4-3-6-20-17(12)26-2;1-12-21-16-6-8-24(10-14-5-3-4-7-19-14)17(16)18(22-12)20-9-15-11-25-13(2)23-15;1-11-8-13(23-25-11)9-20-17-16-14(21-12(2)22-17)4-7-24(16)10-15-18-5-3-6-19-15;1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-22-12(2)25-23-15/h4-9H,10-11H2,1-3H3,(H,21,22,23);4-7H,8-9H2,1-3H3,(H3,19,20,21,24);3-8H,9-10H2,1-2H3,(H3,19,21,22,23);3-8,11H,9-10H2,1-2H3,(H,20,21,22);3-8H,9-10H2,1-2H3,(H,20,21,22);3-8H,9-10H2,1-2H3,(H,19,20,21).

What are the key properties of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 2131.41 g/mol, XLogP of 16.08, 33 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxy-3-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(3-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 162125477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).