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

C108H113N41O9S2 — CID 160805538

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

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 160805538) has the molecular formula C108H113N41O9S2 and a molecular weight of 2193.50 g/mol. Its IUPAC name is 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-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-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 160805538
• Molecular Formula: C108H113N41O9S2
• Molecular Weight: 2193.50 g/mol
• Exact Mass: 2191.91
• IUPAC Name: 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COCc1nc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)no1.COc1cc(OC)nc(Cn2ccc3nc(N)nc(NCc4noc(C)n4)c32)n1.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3ncc(C)o3)c21.Cc1coc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)n1.Cc1nc(NCc2ncc(C)s2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C19H20N6OS.2C18H19N7O2.C18H18N6O.C18H18N6S.C17H19N9O3/c1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-11-8-21-15(27-11)9-22-17-16-12(23-18(19)24-17)5-7-25(16)10-13-14(26-2)4-3-6-20-13;1-12-21-14-6-8-25(10-13-5-3-4-7-19-13)17(14)18(22-12)20-9-15-23-16(11-26-2)27-24-15;1-12-11-25-16(21-12)9-20-18-17-15(22-13(2)23-18)6-8-24(17)10-14-5-3-4-7-19-14;1-12-9-20-16(25-12)10-21-18-17-15(22-13(2)23-18)6-8-24(17)11-14-5-3-4-7-19-14;1-9-20-11(25-29-9)7-19-16-15-10(21-17(18)24-16)4-5-26(15)8-12-22-13(27-2)6-14(23-12)28-3/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);3-8H,9-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H,20,22,23);3-9H,10-11H2,1-2H3,(H,21,22,23);4-6H,7-8H2,1-3H3,(H3,18,19,21,24)
• InChIKey: SDQFHCLUTAPVMB-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 613.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 52
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.50
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-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-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 160805538) is 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-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-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-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-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCc1nc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)no1.COc1cc(OC)nc(Cn2ccc3nc(N)nc(NCc4noc(C)n4)c32)n1.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.COc1cccnc1Cn1ccc2nc(N)nc(NCc3ncc(C)o3)c21.Cc1coc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)n1.Cc1nc(NCc2ncc(C)s2)c2c(ccn2Cc2ccccn2)n1.

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

The InChIKey is SDQFHCLUTAPVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS.2C18H19N7O2.C18H18N6O.C18H18N6S.C17H19N9O3/c1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-11-8-21-15(27-11)9-22-17-16-12(23-18(19)24-17)5-7-25(16)10-13-14(26-2)4-3-6-20-13;1-12-21-14-6-8-25(10-13-5-3-4-7-19-13)17(14)18(22-12)20-9-15-23-16(11-26-2)27-24-15;1-12-11-25-16(21-12)9-20-18-17-15(22-13(2)23-18)6-8-24(17)10-14-5-3-4-7-19-14;1-12-9-20-16(25-12)10-21-18-17-15(22-13(2)23-18)6-8-24(17)11-14-5-3-4-7-19-14;1-9-20-11(25-29-9)7-19-16-15-10(21-17(18)24-16)4-5-26(15)8-12-22-13(27-2)6-14(23-12)28-3/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);3-8H,9-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H,20,22,23);3-9H,10-11H2,1-2H3,(H,21,22,23);4-6H,7-8H2,1-3H3,(H3,18,19,21,24).

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

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 2193.50 g/mol, XLogP of 15.97, 36 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160805538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).