N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C97H110F4N26O7 — CID 160753629

About N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 160753629) has the molecular formula C97H110F4N26O7 and a molecular weight of 1828.11 g/mol. Its IUPAC name is N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 160753629
• Molecular Formula: C97H110F4N26O7
• Molecular Weight: 1828.11 g/mol
• Exact Mass: 1826.90
• IUPAC Name: N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCCNc1nc(C)nc2ccn(Cc3cc(OC4CCOC4)c(OC)cn3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3OCC)c12.Cc1nc(NCC2CCCO2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cc(C(F)(F)F)ccn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccc(F)cn2)n1
• InChI: InChI=1S/C22H29N5O3.C20H26N4O.C19H17F3N6O.C18H17FN6O.C18H21N5O/c1-4-5-8-23-22-21-18(25-15(2)26-22)6-9-27(21)13-16-11-19(20(28-3)12-24-16)30-17-7-10-29-14-17;1-4-6-12-21-20-19-17(22-15(3)23-20)11-13-24(19)14-16-9-7-8-10-18(16)25-5-2;1-11-7-14(27-29-11)9-24-18-17-16(25-12(2)26-18)4-6-28(17)10-15-8-13(3-5-23-15)19(20,21)22;1-11-7-15(24-26-11)9-21-18-17-16(22-12(2)23-18)5-6-25(17)10-14-4-3-13(19)8-20-14;1-13-21-16-7-9-23(12-14-5-2-3-8-19-14)17(16)18(22-13)20-11-15-6-4-10-24-15/h6,9,11-12,17H,4-5,7-8,10,13-14H2,1-3H3,(H,23,25,26);7-11,13H,4-6,12,14H2,1-3H3,(H,21,22,23);3-8H,9-10H2,1-2H3,(H,24,25,26);3-8H,9-10H2,1-2H3,(H,21,22,23);2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,20,21,22)
• InChIKey: RXDJSXROOQODHC-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 363.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.11
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	5
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 N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 160753629) is N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(Cc3cc(OC4CCOC4)c(OC)cn3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3OCC)c12.Cc1nc(NCC2CCCO2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cc(C(F)(F)F)ccn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccc(F)cn2)n1.

What is the InChIKey of N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is RXDJSXROOQODHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C20H26N4O.C19H17F3N6O.C18H17FN6O.C18H21N5O/c1-4-5-8-23-22-21-18(25-15(2)26-22)6-9-27(21)13-16-11-19(20(28-3)12-24-16)30-17-7-10-29-14-17;1-4-6-12-21-20-19-17(22-15(3)23-20)11-13-24(19)14-16-9-7-8-10-18(16)25-5-2;1-11-7-14(27-29-11)9-24-18-17-16(25-12(2)26-18)4-6-28(17)10-15-8-13(3-5-23-15)19(20,21)22;1-11-7-15(24-26-11)9-21-18-17-16(22-12(2)23-18)5-6-25(17)10-14-4-3-13(19)8-20-14;1-13-21-16-7-9-23(12-14-5-2-3-8-19-14)17(16)18(22-13)20-11-15-6-4-10-24-15/h6,9,11-12,17H,4-5,7-8,10,13-14H2,1-3H3,(H,23,25,26);7-11,13H,4-6,12,14H2,1-3H3,(H,21,22,23);3-8H,9-10H2,1-2H3,(H,24,25,26);3-8H,9-10H2,1-2H3,(H,21,22,23);2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,20,21,22).

What are the key properties of N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1828.11 g/mol, XLogP of 18.08, 32 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-[(2-ethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160753629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).