2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C109H131BrClF2N25O — CID 157431672

About 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 157431672) has the molecular formula C109H131BrClF2N25O and a molecular weight of 1960.77 g/mol. Its IUPAC name is 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 157431672
• Molecular Formula: C109H131BrClF2N25O
• Molecular Weight: 1960.77 g/mol
• Exact Mass: 1957.98
• IUPAC Name: 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCC(CO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)c(Cl)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(F)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3Br)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12
• InChI: InChI=1S/C19H24N4O.C19H24N4.C18H21BrN4.C18H20ClFN4.C18H21FN4.C17H21N5/c1-3-7-16(13-24)22-19-18-17(20-14(2)21-19)10-11-23(18)12-15-8-5-4-6-9-15;1-3-4-12-20-19-18-17(21-15(2)22-19)11-14-23(18)13-10-16-8-6-5-7-9-16;1-3-4-10-20-18-17-16(21-13(2)22-18)9-11-23(17)12-14-7-5-6-8-15(14)19;1-3-4-8-21-18-17-16(22-12(2)23-18)7-9-24(17)11-13-5-6-15(20)14(19)10-13;1-3-4-9-20-18-17-16(21-13(2)22-18)8-10-23(17)12-14-6-5-7-15(19)11-14;1-3-4-9-19-17-16-15(20-13(2)21-17)8-11-22(16)12-14-7-5-6-10-18-14/h4-6,8-11,16,24H,3,7,12-13H2,1-2H3,(H,20,21,22);5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,20,21,22);5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,22);5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,22,23);5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,21,22);5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21)
• InChIKey: BQPPIETZVRRZED-UHFFFAOYSA-N
• XLogP: 24.64
• TPSA: 289.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.77
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 157431672) is 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCCC(CO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(CCc3ccccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccc(F)c(Cl)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccc(F)c3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3Br)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.

What is the InChIKey of 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is BQPPIETZVRRZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.C19H24N4.C18H21BrN4.C18H20ClFN4.C18H21FN4.C17H21N5/c1-3-7-16(13-24)22-19-18-17(20-14(2)21-19)10-11-23(18)12-15-8-5-4-6-9-15;1-3-4-12-20-19-18-17(21-15(2)22-19)11-14-23(18)13-10-16-8-6-5-7-9-16;1-3-4-10-20-18-17-16(21-13(2)22-18)9-11-23(17)12-14-7-5-6-8-15(14)19;1-3-4-8-21-18-17-16(22-12(2)23-18)7-9-24(17)11-13-5-6-15(20)14(19)10-13;1-3-4-9-20-18-17-16(21-13(2)22-18)8-10-23(17)12-14-6-5-7-15(19)11-14;1-3-4-9-19-17-16-15(20-13(2)21-17)8-11-22(16)12-14-7-5-6-10-18-14/h4-6,8-11,16,24H,3,7,12-13H2,1-2H3,(H,20,21,22);5-9,11,14H,3-4,10,12-13H2,1-2H3,(H,20,21,22);5-9,11H,3-4,10,12H2,1-2H3,(H,20,21,22);5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,22,23);5-8,10-11H,3-4,9,12H2,1-2H3,(H,20,21,22);5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,20,21).

What are the key properties of 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1960.77 g/mol, XLogP of 24.64, 38 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;5-[(2-bromophenyl)methyl]-N-butyl-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-chloro-4-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[(3-fluorophenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-phenylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157431672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).