5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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

C105H112N26O12 — CID 158888849

About 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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

5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 158888849) has the molecular formula C105H112N26O12 and a molecular weight of 1930.22 g/mol. Its IUPAC name is 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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: 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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: 158888849
• Molecular Formula: C105H112N26O12
• Molecular Weight: 1930.22 g/mol
• Exact Mass: 1928.90
• IUPAC Name: 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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: CCCCOc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCCOc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21.COc1ccccc1Cn1ccc2nc(C)nc(OCc3cc(C)on3)c21.Cc1nc(OCc2cc(C)on2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(OCc2noc(C)n2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C20H20N4O3.C18H17N5O2.C18H21N3O.C17H16N6O2.C17H20N4O.C15H18N4O3/c1-13-10-16(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;1-3-4-12-22-18-17-16(19-14(2)20-18)10-11-21(17)13-15-8-6-5-7-9-15;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;1-3-4-11-22-17-16-15(19-13(2)20-17)8-10-21(16)12-14-7-5-6-9-18-14;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/h4-10H,11-12H2,1-3H3;3-9H,10-11H2,1-2H3;5-11H,3-4,12-13H2,1-2H3;3-8H,9-10H2,1-2H3;5-10H,3-4,11-12H2,1-2H3;4-5,8H,6-7,9H2,1-3H3
• InChIKey: JDYSSEKRHZHHLY-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 413.78 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.22
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 158888849) is 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 CCCCOc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCCOc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCn1ccc2nc(C)nc(OCc3cc(C)on3)c21.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 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 JDYSSEKRHZHHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3.C18H17N5O2.C18H21N3O.C17H16N6O2.C17H20N4O.C15H18N4O3/c1-13-10-16(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;1-3-4-12-22-18-17-16(19-14(2)20-18)10-11-21(17)13-15-8-6-5-7-9-15;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;1-3-4-11-22-17-16-15(19-13(2)20-17)8-10-21(16)12-14-7-5-6-9-18-14;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/h4-10H,11-12H2,1-3H3;3-9H,10-11H2,1-2H3;5-11H,3-4,12-13H2,1-2H3;3-8H,9-10H2,1-2H3;5-10H,3-4,11-12H2,1-2H3;4-5,8H,6-7,9H2,1-3H3.

What are the key properties of 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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?

5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 1930.22 g/mol, XLogP of 18.77, 34 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-4-butoxy-2-methylpyrrolo[3,2-d]pyrimidine;4-butoxy-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine;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 158888849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).