5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

C107H144N28O5 — CID 158534510

About 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol

5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 158534510) has the molecular formula C107H144N28O5 and a molecular weight of 1902.52 g/mol. Its IUPAC name is 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

• Compound Name: 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
• PubChem CID: 158534510
• Molecular Formula: C107H144N28O5
• Molecular Weight: 1902.52 g/mol
• Exact Mass: 1901.19
• IUPAC Name: 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
• SMILES: CCCC(C)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCC(CCO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCC(CO)Nc1nc(C)nc2ccn(CC(C)C)c12.CCCC(CO)Nc1nc(C)nc2ccn(Cc3ccccn3)c12.CCCCC(CO)Nc1nc(C)nc2ccn(Cc3cccnn3)c12.CCCCNc1nc(C)nc2ccn(Cc3cc(C)on3)c12
• InChI: InChI=1S/C20H26N4O.C19H24N4.C18H24N6O.C18H23N5O.C16H21N5O.C16H26N4O/c1-3-7-17(11-13-25)23-20-19-18(21-15(2)22-20)10-12-24(19)14-16-8-5-4-6-9-16;1-4-8-14(2)20-19-18-17(21-15(3)22-19)11-12-23(18)13-16-9-6-5-7-10-16;1-3-4-6-15(12-25)22-18-17-16(20-13(2)21-18)8-10-24(17)11-14-7-5-9-19-23-14;1-3-6-15(12-24)22-18-17-16(20-13(2)21-18)8-10-23(17)11-14-7-4-5-9-19-14;1-4-5-7-17-16-15-14(18-12(3)19-16)6-8-21(15)10-13-9-11(2)22-20-13;1-5-6-13(10-21)19-16-15-14(17-12(4)18-16)7-8-20(15)9-11(2)3/h4-6,8-10,12,17,25H,3,7,11,13-14H2,1-2H3,(H,21,22,23);5-7,9-12,14H,4,8,13H2,1-3H3,(H,20,21,22);5,7-10,15,25H,3-4,6,11-12H2,1-2H3,(H,20,21,22);4-5,7-10,15,24H,3,6,11-12H2,1-2H3,(H,20,21,22);6,8-9H,4-5,7,10H2,1-3H3,(H,17,18,19);7-8,11,13,21H,5-6,9-10H2,1-4H3,(H,17,18,19)
• InChIKey: HNTXEXPMEGYGIR-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 402.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.52
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The IUPAC name of 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 158534510) is 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.

What is the SMILES notation for 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The canonical SMILES for 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is CCCC(C)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCC(CCO)Nc1nc(C)nc2ccn(Cc3ccccc3)c12.CCCC(CO)Nc1nc(C)nc2ccn(CC(C)C)c12.CCCC(CO)Nc1nc(C)nc2ccn(Cc3ccccn3)c12.CCCCC(CO)Nc1nc(C)nc2ccn(Cc3cccnn3)c12.CCCCNc1nc(C)nc2ccn(Cc3cc(C)on3)c12.

What is the InChIKey of 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

The InChIKey is HNTXEXPMEGYGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.C19H24N4.C18H24N6O.C18H23N5O.C16H21N5O.C16H26N4O/c1-3-7-17(11-13-25)23-20-19-18(21-15(2)22-20)10-12-24(19)14-16-8-5-4-6-9-16;1-4-8-14(2)20-19-18-17(21-15(3)22-19)11-12-23(18)13-16-9-6-5-7-10-16;1-3-4-6-15(12-25)22-18-17-16(20-13(2)21-18)8-10-24(17)11-14-7-5-9-19-23-14;1-3-6-15(12-24)22-18-17-16(20-13(2)21-18)8-10-23(17)11-14-7-4-5-9-19-14;1-4-5-7-17-16-15-14(18-12(3)19-16)6-8-21(15)10-13-9-11(2)22-20-13;1-5-6-13(10-21)19-16-15-14(17-12(4)18-16)7-8-20(15)9-11(2)3/h4-6,8-10,12,17,25H,3,7,11,13-14H2,1-2H3,(H,21,22,23);5-7,9-12,14H,4,8,13H2,1-3H3,(H,20,21,22);5,7-10,15,25H,3-4,6,11-12H2,1-2H3,(H,20,21,22);4-5,7-10,15,24H,3,6,11-12H2,1-2H3,(H,20,21,22);6,8-9H,4-5,7,10H2,1-3H3,(H,17,18,19);7-8,11,13,21H,5-6,9-10H2,1-4H3,(H,17,18,19).

What are the key properties of 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol?

5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 1902.52 g/mol, XLogP of 19.70, 42 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 158534510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).