N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine

C98H118ClN27O6 — CID 158562788

About N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine

N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 158562788) has the molecular formula C98H118ClN27O6 and a molecular weight of 1805.66 g/mol. Its IUPAC name is N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 158562788
• Molecular Formula: C98H118ClN27O6
• Molecular Weight: 1805.66 g/mol
• Exact Mass: 1803.94
• IUPAC Name: N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCCNc1nc(C)nc2ccn(Cc3ncc(C)c(OC)c3C)c12.CCOCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCNc1nc(C)nc2ccn(Cc3ncc(C)c(OC)c3C)c12.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(CN3CCCC3)c2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(Cl)n2)n1
• InChI: InChI=1S/C24H28N6O.C20H27N5O.C19H25N5O2.C18H17ClN6O.C17H21N5O/c1-17-12-21(28-31-17)14-25-24-23-22(26-18(2)27-24)8-11-30(23)16-20-7-5-6-19(13-20)15-29-9-3-4-10-29;1-6-7-9-21-20-18-16(23-15(4)24-20)8-10-25(18)12-17-14(3)19(26-5)13(2)11-22-17;1-12-10-21-16(13(2)18(12)26-5)11-24-8-6-15-17(24)19(20-7-9-25-4)23-14(3)22-15;1-11-8-14(24-26-11)9-20-18-17-15(21-12(2)22-18)6-7-25(17)10-13-4-3-5-16(19)23-13;1-3-23-11-9-19-17-16-15(20-13(2)21-17)7-10-22(16)12-14-6-4-5-8-18-14/h5-8,11-13H,3-4,9-10,14-16H2,1-2H3,(H,25,26,27);8,10-11H,6-7,9,12H2,1-5H3,(H,21,23,24);6,8,10H,7,9,11H2,1-5H3,(H,20,22,23);3-8H,9-10H2,1-2H3,(H,20,21,22);4-8,10H,3,9,11-12H2,1-2H3,(H,19,20,21)
• InChIKey: HRCBKVWQOLKLGC-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 357.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.66
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine (CID 158562788) is N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(Cc3ncc(C)c(OC)c3C)c12.CCOCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCNc1nc(C)nc2ccn(Cc3ncc(C)c(OC)c3C)c12.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(CN3CCCC3)c2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(Cl)n2)n1.

What is the InChIKey of N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is HRCBKVWQOLKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C20H27N5O.C19H25N5O2.C18H17ClN6O.C17H21N5O/c1-17-12-21(28-31-17)14-25-24-23-22(26-18(2)27-24)8-11-30(23)16-20-7-5-6-19(13-20)15-29-9-3-4-10-29;1-6-7-9-21-20-18-16(23-15(4)24-20)8-10-25(18)12-17-14(3)19(26-5)13(2)11-22-17;1-12-10-21-16(13(2)18(12)26-5)11-24-8-6-15-17(24)19(20-7-9-25-4)23-14(3)22-15;1-11-8-14(24-26-11)9-20-18-17-15(21-12(2)22-18)6-7-25(17)10-13-4-3-5-16(19)23-13;1-3-23-11-9-19-17-16-15(20-13(2)21-17)7-10-22(16)12-14-6-4-5-8-18-14/h5-8,11-13H,3-4,9-10,14-16H2,1-2H3,(H,25,26,27);8,10-11H,6-7,9,12H2,1-5H3,(H,21,23,24);6,8,10H,7,9,11H2,1-5H3,(H,20,22,23);3-8H,9-10H2,1-2H3,(H,20,21,22);4-8,10H,3,9,11-12H2,1-2H3,(H,19,20,21).

What are the key properties of N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?

N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1805.66 g/mol, XLogP of 17.56, 33 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(6-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158562788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).