5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C104H126N28OS3 — CID 158241341

About 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 158241341) has the molecular formula C104H126N28OS3 and a molecular weight of 1880.55 g/mol. Its IUPAC name is 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 158241341
• Molecular Formula: C104H126N28OS3
• Molecular Weight: 1880.55 g/mol
• Exact Mass: 1878.98
• IUPAC Name: 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCCNc1nc(C)nc2ccn(CCN3CCOCC3)c12.CCCCNc1nc(C)nc2ccn(CCn3cccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccs3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccsc3)c12.Cc1nc(NCc2ccccn2)c2c(ccn2Cc2ccccc2)n1.Cc1nc(NCc2nccs2)c2c(ccn2Cc2ccccc2)n1
• InChI: InChI=1S/C20H19N5.C18H17N5S.C17H27N5O.C17H23N5.2C16H20N4S/c1-15-23-18-10-12-25(14-16-7-3-2-4-8-16)19(18)20(24-15)22-13-17-9-5-6-11-21-17;1-13-21-15-7-9-23(12-14-5-3-2-4-6-14)17(15)18(22-13)20-11-16-19-8-10-24-16;1-3-4-6-18-17-16-15(19-14(2)20-17)5-7-22(16)9-8-21-10-12-23-13-11-21;1-3-4-8-18-17-16-15(19-14(2)20-17)7-11-22(16)13-12-21-9-5-6-10-21;1-3-4-7-17-16-15-14(18-12(2)19-16)5-8-20(15)10-13-6-9-21-11-13;1-3-4-8-17-16-15-14(18-12(2)19-16)7-9-20(15)11-13-6-5-10-21-13/h2-12H,13-14H2,1H3,(H,22,23,24);2-10H,11-12H2,1H3,(H,20,21,22);5,7H,3-4,6,8-13H2,1-2H3,(H,18,19,20);5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,18,19,20);5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18,19);5-7,9-10H,3-4,8,11H2,1-2H3,(H,17,18,19)
• InChIKey: GFOPLRNCBUQUAU-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 299.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.55
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

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-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 158241341) is 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(CCN3CCOCC3)c12.CCCCNc1nc(C)nc2ccn(CCn3cccc3)c12.CCCCNc1nc(C)nc2ccn(Cc3cccs3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccsc3)c12.Cc1nc(NCc2ccccn2)c2c(ccn2Cc2ccccc2)n1.Cc1nc(NCc2nccs2)c2c(ccn2Cc2ccccc2)n1.

What is the InChIKey of 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is GFOPLRNCBUQUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5.C18H17N5S.C17H27N5O.C17H23N5.2C16H20N4S/c1-15-23-18-10-12-25(14-16-7-3-2-4-8-16)19(18)20(24-15)22-13-17-9-5-6-11-21-17;1-13-21-15-7-9-23(12-14-5-3-2-4-6-14)17(15)18(22-13)20-11-16-19-8-10-24-16;1-3-4-6-18-17-16-15(19-14(2)20-17)5-7-22(16)9-8-21-10-12-23-13-11-21;1-3-4-8-18-17-16-15(19-14(2)20-17)7-11-22(16)13-12-21-9-5-6-10-21;1-3-4-7-17-16-15-14(18-12(2)19-16)5-8-20(15)10-13-6-9-21-11-13;1-3-4-8-17-16-15-14(18-12(2)19-16)7-9-20(15)11-13-6-5-10-21-13/h2-12H,13-14H2,1H3,(H,22,23,24);2-10H,11-12H2,1H3,(H,20,21,22);5,7H,3-4,6,8-13H2,1-2H3,(H,18,19,20);5-7,9-11H,3-4,8,12-13H2,1-2H3,(H,18,19,20);5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18,19);5-7,9-10H,3-4,8,11H2,1-2H3,(H,17,18,19).

What are the key properties of 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1880.55 g/mol, XLogP of 21.51, 36 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158241341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).