N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C110H126F3N31O8S — CID 159536902

About N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 159536902) has the molecular formula C110H126F3N31O8S and a molecular weight of 2099.49 g/mol. Its IUPAC name is N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 159536902
• Molecular Formula: C110H126F3N31O8S
• Molecular Weight: 2099.49 g/mol
• Exact Mass: 2098.01
• IUPAC Name: N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCC(O)CNc1nc(C)nc2ccn(Cc3ccccn3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3OC(F)(F)F)c12.CCCc1ccccc1Cn1ccc2nc(N)nc(NCCOC)c21.COCCNc1nc(C)nc2ccn(Cc3cc(OC4CCOC4)c(OC)cn3)c12.Cc1nc(NCc2ncco2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2nccs2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C21H27N5O4.C19H21F3N4O.C19H25N5O.C17H16N6O.C17H16N6S.C17H21N5O/c1-14-24-17-4-7-26(20(17)21(25-14)22-6-9-27-2)12-15-10-18(19(28-3)11-23-15)30-16-5-8-29-13-16;1-3-4-10-23-18-17-15(24-13(2)25-18)9-11-26(17)12-14-7-5-6-8-16(14)27-19(20,21)22;1-3-6-14-7-4-5-8-15(14)13-24-11-9-16-17(24)18(21-10-12-25-2)23-19(20)22-16;2*1-12-21-14-5-8-23(11-13-4-2-3-6-18-13)16(14)17(22-12)20-10-15-19-7-9-24-15;1-3-14(23)10-19-17-16-15(20-12(2)21-17)7-9-22(16)11-13-6-4-5-8-18-13/h4,7,10-11,16H,5-6,8-9,12-13H2,1-3H3,(H,22,24,25);5-9,11H,3-4,10,12H2,1-2H3,(H,23,24,25);4-5,7-9,11H,3,6,10,12-13H2,1-2H3,(H3,20,21,22,23);2*2-9H,10-11H2,1H3,(H,20,21,22);4-9,14,23H,3,10-11H2,1-2H3,(H,19,20,21)
• InChIKey: MDSARSVDXIHYCH-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 448.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.49
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 159536902) is N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCC(O)CNc1nc(C)nc2ccn(Cc3ccccn3)c12.CCCCNc1nc(C)nc2ccn(Cc3ccccc3OC(F)(F)F)c12.CCCc1ccccc1Cn1ccc2nc(N)nc(NCCOC)c21.COCCNc1nc(C)nc2ccn(Cc3cc(OC4CCOC4)c(OC)cn3)c12.Cc1nc(NCc2ncco2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2nccs2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is MDSARSVDXIHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4.C19H21F3N4O.C19H25N5O.C17H16N6O.C17H16N6S.C17H21N5O/c1-14-24-17-4-7-26(20(17)21(25-14)22-6-9-27-2)12-15-10-18(19(28-3)11-23-15)30-16-5-8-29-13-16;1-3-4-10-23-18-17-15(24-13(2)25-18)9-11-26(17)12-14-7-5-6-8-16(14)27-19(20,21)22;1-3-6-14-7-4-5-8-15(14)13-24-11-9-16-17(24)18(21-10-12-25-2)23-19(20)22-16;2*1-12-21-14-5-8-23(11-13-4-2-3-6-18-13)16(14)17(22-12)20-10-15-19-7-9-24-15;1-3-14(23)10-19-17-16-15(20-12(2)21-17)7-9-22(16)11-13-6-4-5-8-18-13/h4,7,10-11,16H,5-6,8-9,12-13H2,1-3H3,(H,22,24,25);5-9,11H,3-4,10,12H2,1-2H3,(H,23,24,25);4-5,7-9,11H,3,6,10,12-13H2,1-2H3,(H3,20,21,22,23);2*2-9H,10-11H2,1H3,(H,20,21,22);4-9,14,23H,3,10-11H2,1-2H3,(H,19,20,21).

What are the key properties of N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 2099.49 g/mol, XLogP of 18.79, 40 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[[5-methoxy-4-(oxolan-3-yloxy)-2-pyridinyl]methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[(2-propylphenyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-2-ol;2-methyl-5-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159536902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).