3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole

C90H92N24O14 — CID 159411565

About 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole

3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole (PubChem CID 159411565) has the molecular formula C90H92N24O14 and a molecular weight of 1733.88 g/mol. Its IUPAC name is 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole
• PubChem CID: 159411565
• Molecular Formula: C90H92N24O14
• Molecular Weight: 1733.88 g/mol
• Exact Mass: 1732.72
• IUPAC Name: 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole
• SMILES: COCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21.COc1ccc(Cn2ccc3nc(C)nc(OCc4cc(C)on4)c32)nc1OC.COc1ccccc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21.Cc1nc(OCc2cc(C)on2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(OCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C20H21N5O4.C20H20N4O3.C18H17N5O2.C17H16N6O2.C15H18N4O3/c1-12-9-15(24-29-12)11-28-20-18-16(21-13(2)22-20)7-8-25(18)10-14-5-6-17(26-3)19(23-14)27-4;1-13-10-16(23-27-13)12-26-20-19-17(21-14(2)22-20)8-9-24(19)11-15-6-4-5-7-18(15)25-3;1-12-9-15(22-25-12)11-24-18-17-16(20-13(2)21-18)6-8-23(17)10-14-5-3-4-7-19-14;1-11-19-14-6-8-23(9-13-5-3-4-7-18-13)16(14)17(20-11)24-10-15-21-12(2)25-22-15;1-10-8-12(18-22-10)9-21-15-14-13(16-11(2)17-15)4-5-19(14)6-7-20-3/h5-9H,10-11H2,1-4H3;4-10H,11-12H2,1-3H3;3-9H,10-11H2,1-2H3;3-8H,9-10H2,1-2H3;4-5,8H,6-7,9H2,1-3H3
• InChIKey: LOQGTHNBACHTAL-UHFFFAOYSA-N
• XLogP: 14.52
• TPSA: 418.33 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1733.88
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole?

The IUPAC name of 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole (CID 159411565) is 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole.

What is the SMILES notation for 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole?

The canonical SMILES for 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole is COCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21.COc1ccc(Cn2ccc3nc(C)nc(OCc4cc(C)on4)c32)nc1OC.COc1ccccc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21.Cc1nc(OCc2cc(C)on2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(OCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole?

The InChIKey is LOQGTHNBACHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4.C20H20N4O3.C18H17N5O2.C17H16N6O2.C15H18N4O3/c1-12-9-15(24-29-12)11-28-20-18-16(21-13(2)22-20)7-8-25(18)10-14-5-6-17(26-3)19(23-14)27-4;1-13-10-16(23-27-13)12-26-20-19-17(21-14(2)22-20)8-9-24(19)11-15-6-4-5-7-18(15)25-3;1-12-9-15(22-25-12)11-24-18-17-16(20-13(2)21-18)6-8-23(17)10-14-5-3-4-7-19-14;1-11-19-14-6-8-23(9-13-5-3-4-7-18-13)16(14)17(20-11)24-10-15-21-12(2)25-22-15;1-10-8-12(18-22-10)9-21-15-14-13(16-11(2)17-15)4-5-19(14)6-7-20-3/h5-9H,10-11H2,1-4H3;4-10H,11-12H2,1-3H3;3-9H,10-11H2,1-2H3;3-8H,9-10H2,1-2H3;4-5,8H,6-7,9H2,1-3H3.

What are the key properties of 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole?

3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole has a molecular weight of 1733.88 g/mol, XLogP of 14.52, 29 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;3-[[5-[(2-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2,4-oxadiazole;5-methyl-3-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 159411565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).