N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C124H132F24N38O2 — CID 165014746

About N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165014746) has the molecular formula C124H132F24N38O2 and a molecular weight of 2642.64 g/mol. Its IUPAC name is N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 165014746
• Molecular Formula: C124H132F24N38O2
• Molecular Weight: 2642.64 g/mol
• Exact Mass: 2641.10
• IUPAC Name: N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.CC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.CCCCNc1ncnc2[nH]cc(-c3cnn(C)c3)c12.CCCCNc1ncnc2[nH]cc(C(F)(F)F)c12.CCCCNc1ncnc2[nH]cc(C(O)C(F)(F)F)c12.CCCCNc1ncnc2[nH]cc(C(OCC)C(F)(F)F)c12.CCCCNc1ncnc2[nH]cc(CC(F)(F)F)c12.FC(F)(F)c1c[nH]c2ncnc(NC3(c4ccccc4)CC3)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3ccccc3)c12
• InChI: InChI=1S/C16H13F3N4.C16H15F3N4.C15H13F3N4.C14H19F3N4O.C14H11F3N4.C14H18N6.C12H15F3N4O.C12H15F3N4.C11H13F3N4/c17-16(18,19)11-8-20-13-12(11)14(22-9-21-13)23-15(6-7-15)10-4-2-1-3-5-10;1-15(2,10-6-4-3-5-7-10)23-14-12-11(16(17,18)19)8-20-13(12)21-9-22-14;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-3-5-6-18-12-10-9(7-19-13(10)21-8-20-12)11(22-4-2)14(15,16)17;15-14(16,17)10-7-19-13-11(10)12(20-8-21-13)18-6-9-4-2-1-3-5-9;1-3-4-5-15-13-12-11(10-6-19-20(2)8-10)7-16-14(12)18-9-17-13;1-2-3-4-16-10-8-7(9(20)12(13,14)15)5-17-11(8)19-6-18-10;1-2-3-4-16-10-9-8(5-12(13,14)15)6-17-11(9)19-7-18-10;1-2-3-4-15-9-8-7(11(12,13)14)5-16-10(8)18-6-17-9/h1-5,8-9H,6-7H2,(H2,20,21,22,23);3-9H,1-2H3,(H2,20,21,22,23);2-9H,1H3,(H2,19,20,21,22);7-8,11H,3-6H2,1-2H3,(H2,18,19,20,21);1-5,7-8H,6H2,(H2,18,19,20,21);6-9H,3-5H2,1-2H3,(H2,15,16,17,18);5-6,9,20H,2-4H2,1H3,(H2,16,17,18,19);6-7H,2-5H2,1H3,(H2,16,17,18,19);5-6H,2-4H2,1H3,(H2,15,16,17,18)
• InChIKey: KGBXHZWKYPWBAM-UHFFFAOYSA-N
• XLogP: 31.75
• TPSA: 529.68 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2642.64
LogP ≤ 5	31.75
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165014746) is N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.CC(Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1ccccc1.CCCCNc1ncnc2[nH]cc(-c3cnn(C)c3)c12.CCCCNc1ncnc2[nH]cc(C(F)(F)F)c12.CCCCNc1ncnc2[nH]cc(C(O)C(F)(F)F)c12.CCCCNc1ncnc2[nH]cc(C(OCC)C(F)(F)F)c12.CCCCNc1ncnc2[nH]cc(CC(F)(F)F)c12.FC(F)(F)c1c[nH]c2ncnc(NC3(c4ccccc4)CC3)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3ccccc3)c12.

What is the InChIKey of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is KGBXHZWKYPWBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4.C16H15F3N4.C15H13F3N4.C14H19F3N4O.C14H11F3N4.C14H18N6.C12H15F3N4O.C12H15F3N4.C11H13F3N4/c17-16(18,19)11-8-20-13-12(11)14(22-9-21-13)23-15(6-7-15)10-4-2-1-3-5-10;1-15(2,10-6-4-3-5-7-10)23-14-12-11(16(17,18)19)8-20-13(12)21-9-22-14;1-9(10-5-3-2-4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14;1-3-5-6-18-12-10-9(7-19-13(10)21-8-20-12)11(22-4-2)14(15,16)17;15-14(16,17)10-7-19-13-11(10)12(20-8-21-13)18-6-9-4-2-1-3-5-9;1-3-4-5-15-13-12-11(10-6-19-20(2)8-10)7-16-14(12)18-9-17-13;1-2-3-4-16-10-8-7(9(20)12(13,14)15)5-17-11(8)19-6-18-10;1-2-3-4-16-10-9-8(5-12(13,14)15)6-17-11(9)19-7-18-10;1-2-3-4-15-9-8-7(11(12,13)14)5-16-10(8)18-6-17-9/h1-5,8-9H,6-7H2,(H2,20,21,22,23);3-9H,1-2H3,(H2,20,21,22,23);2-9H,1H3,(H2,19,20,21,22);7-8,11H,3-6H2,1-2H3,(H2,18,19,20,21);1-5,7-8H,6H2,(H2,18,19,20,21);6-9H,3-5H2,1-2H3,(H2,15,16,17,18);5-6,9,20H,2-4H2,1H3,(H2,16,17,18,19);6-7H,2-5H2,1H3,(H2,16,17,18,19);5-6H,2-4H2,1H3,(H2,15,16,17,18).

What are the key properties of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2642.64 g/mol, XLogP of 31.75, 38 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2,2,2-trifluoroethanol;N-butyl-5-(1-ethoxy-2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-butyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-phenylpropan-2-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165014746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).