5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C88H91ClN34O8S2 — CID 161103375

About 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 161103375) has the molecular formula C88H91ClN34O8S2 and a molecular weight of 1852.51 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 161103375
• Molecular Formula: C88H91ClN34O8S2
• Molecular Weight: 1852.51 g/mol
• Exact Mass: 1850.69
• IUPAC Name: 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: 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.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cscn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2Cl)n1
• InChI: InChI=1S/C19H20N6OS.C18H17ClN6O.C18H19N7O2.C17H19N9O3.C16H16N6OS/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;1-11-8-13(24-26-11)9-21-18-17-15(22-12(2)23-18)5-7-25(17)10-16-14(19)4-3-6-20-16;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;1-9-20-11(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;1-10-5-12(21-23-10)6-17-16-15-14(19-11(2)20-16)3-4-22(15)7-13-8-24-9-18-13/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H,21,22,23);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);4-6H,7-8H2,1-3H3,(H3,18,19,21,24);3-5,8-9H,6-7H2,1-2H3,(H,17,19,20)
• InChIKey: UISNUAOBKBFIQR-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 523.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.51
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 161103375) is 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is 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.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cscn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2Cl)n1.

What is the InChIKey of 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is UISNUAOBKBFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS.C18H17ClN6O.C18H19N7O2.C17H19N9O3.C16H16N6OS/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;1-11-8-13(24-26-11)9-21-18-17-15(22-12(2)23-18)5-7-25(17)10-16-14(19)4-3-6-20-16;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;1-9-20-11(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;1-10-5-12(21-23-10)6-17-16-15-14(19-11(2)20-16)3-4-22(15)7-13-8-24-9-18-13/h3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8H,9-10H2,1-2H3,(H,21,22,23);3-8H,9-10H2,1-2H3,(H3,19,22,23,24);4-6H,7-8H2,1-3H3,(H3,18,19,21,24);3-5,8-9H,6-7H2,1-2H3,(H,17,19,20).

What are the key properties of 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1852.51 g/mol, XLogP of 13.89, 29 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]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;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-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 161103375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).