N-butyl-5-[(2-ethoxyphenyl)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;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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

C106H119F4N31O6S — CID 159096671

About N-butyl-5-[(2-ethoxyphenyl)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;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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 159096671) has the molecular formula C106H119F4N31O6S and a molecular weight of 2031.39 g/mol. Its IUPAC name is N-butyl-5-[(2-ethoxyphenyl)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;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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: 159096671
• Molecular Formula: C106H119F4N31O6S
• Molecular Weight: 2031.39 g/mol
• Exact Mass: 2029.96
• IUPAC Name: N-butyl-5-[(2-ethoxyphenyl)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;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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(Cc3ccccc3OCC)c12.COCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCNc1nc(C)nc2ccn(Cc3cscn3)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/C20H26N4O.C19H17F3N6O.C18H17FN6O.C18H21N5O.C17H21N5O.C14H17N5OS/c1-4-6-12-21-20-19-17(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;1-13-20-15-7-10-22(12-14-6-3-4-8-18-14)16(15)17(21-13)19-9-5-11-23-2;1-10-17-12-3-5-19(7-11-8-21-9-16-11)13(12)14(18-10)15-4-6-20-2/h7-11,13H,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);3-4,6-8,10H,5,9,11-12H2,1-2H3,(H,19,20,21);3,5,8-9H,4,6-7H2,1-2H3,(H,15,17,18)
• InChIKey: KCTJZTYZGQXNSG-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 409.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2031.39
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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 159096671) is N-butyl-5-[(2-ethoxyphenyl)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;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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(Cc3ccccc3OCC)c12.COCCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCNc1nc(C)nc2ccn(Cc3cscn3)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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 KCTJZTYZGQXNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.C19H17F3N6O.C18H17FN6O.C18H21N5O.C17H21N5O.C14H17N5OS/c1-4-6-12-21-20-19-17(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;1-13-20-15-7-10-22(12-14-6-3-4-8-18-14)16(15)17(21-13)19-9-5-11-23-2;1-10-17-12-3-5-19(7-11-8-21-9-16-11)13(12)14(18-10)15-4-6-20-2/h7-11,13H,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);3-4,6-8,10H,5,9,11-12H2,1-2H3,(H,19,20,21);3,5,8-9H,4,6-7H2,1-2H3,(H,15,17,18).

What are the key properties of N-butyl-5-[(2-ethoxyphenyl)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;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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 2031.39 g/mol, XLogP of 19.45, 36 rotatable bonds, 6 hydrogen bond donors, and 38 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;5-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-methyl-5-(pyridin-2-ylmethyl)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 159096671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).