5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C113H132FN27O3 — CID 161124457

About 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 161124457) has the molecular formula C113H132FN27O3 and a molecular weight of 1935.48 g/mol. Its IUPAC name is 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 161124457
• Molecular Formula: C113H132FN27O3
• Molecular Weight: 1935.48 g/mol
• Exact Mass: 1934.10
• IUPAC Name: 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCCNc1nc(C)nc2c(C)cn(Cc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCOc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)cc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(OC)cc3)c12.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccccc2)n1.Cc1nc(NCc2ccn(C)n2)c2c(ccn2Cc2ccccc2)n1
• InChI: InChI=1S/C19H20N6.C19H19N5O.2C19H24N4O.C19H24N4.C18H21FN4/c1-14-21-17-9-11-25(13-15-6-4-3-5-7-15)18(17)19(22-14)20-12-16-8-10-24(2)23-16;1-13-10-16(23-25-13)11-20-19-18-17(21-14(2)22-19)8-9-24(18)12-15-6-4-3-5-7-15;1-4-5-11-20-19-18-17(21-14(2)22-19)10-12-23(18)13-15-6-8-16(24-3)9-7-15;1-3-4-11-20-19-18-17(21-15(2)22-19)10-12-23(18)13-14-24-16-8-6-5-7-9-16;1-4-5-11-20-19-18-17(21-15(3)22-19)14(2)12-23(18)13-16-9-7-6-8-10-16;1-3-4-10-20-18-17-16(21-13(2)22-18)9-11-23(17)12-14-5-7-15(19)8-6-14/h3-11H,12-13H2,1-2H3,(H,20,21,22);3-10H,11-12H2,1-2H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);5-10,12H,3-4,11,13-14H2,1-2H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,22)
• InChIKey: ULJJYNMBHBBTLQ-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 318.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.48
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 161124457) is 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2c(C)cn(Cc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCOc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)cc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(OC)cc3)c12.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccccc2)n1.Cc1nc(NCc2ccn(C)n2)c2c(ccn2Cc2ccccc2)n1.

What is the InChIKey of 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is ULJJYNMBHBBTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6.C19H19N5O.2C19H24N4O.C19H24N4.C18H21FN4/c1-14-21-17-9-11-25(13-15-6-4-3-5-7-15)18(17)19(22-14)20-12-16-8-10-24(2)23-16;1-13-10-16(23-25-13)11-20-19-18-17(21-14(2)22-19)8-9-24(18)12-15-6-4-3-5-7-15;1-4-5-11-20-19-18-17(21-14(2)22-19)10-12-23(18)13-15-6-8-16(24-3)9-7-15;1-3-4-11-20-19-18-17(21-15(2)22-19)10-12-23(18)13-14-24-16-8-6-5-7-9-16;1-4-5-11-20-19-18-17(21-15(3)22-19)14(2)12-23(18)13-16-9-7-6-8-10-16;1-3-4-10-20-18-17-16(21-13(2)22-18)9-11-23(17)12-14-5-7-15(19)8-6-14/h3-11H,12-13H2,1-2H3,(H,20,21,22);3-10H,11-12H2,1-2H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);5-10,12H,3-4,11,13-14H2,1-2H3,(H,20,21,22);6-10,12H,4-5,11,13H2,1-3H3,(H,20,21,22);5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,22).

What are the key properties of 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1935.48 g/mol, XLogP of 23.32, 37 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-butyl-2,7-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenoxyethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 161124457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).