N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C133H131Cl2F19N40O — CID 165088319

About N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165088319) has the molecular formula C133H131Cl2F19N40O and a molecular weight of 2737.66 g/mol. Its IUPAC name is N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 165088319
• Molecular Formula: C133H131Cl2F19N40O
• Molecular Weight: 2737.66 g/mol
• Exact Mass: 2735.05
• IUPAC Name: N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)[C@@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.CC(Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.CCCCNc1ncnc2nc(C3CC3)[nH]c12.CCCCNc1ncnc2nc(C3CCC3)[nH]c12.COc1ccccc1CNc1ncnc2[nH]cc(C(F)(F)F)c12.Cc1cc(F)cc(CNc2ncnc3[nH]cc(C(F)(F)F)c23)c1.Cc1cccc(CNc2ncnc3[nH]cc(C(F)(F)F)c23)c1Cl.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3cccc(Cl)c3)c12
• InChI: InChI=1S/C17H15F3N4.C16H16F3N5.C16H17N5.C15H12ClF3N4.C15H12F4N4.C15H13F3N4O.C14H10ClF3N4.C13H19N5.C12H17N5/c18-17(19,20)12-8-21-15-14(12)16(23-9-22-15)24-13-7-3-5-10-4-1-2-6-11(10)13;1-9(2)13(10-4-3-5-20-6-10)24-15-12-11(16(17,18)19)7-21-14(12)22-8-23-15;1-10(11-5-3-2-4-6-11)19-15-13-16(18-9-17-15)21-14(20-13)12-7-8-12;1-8-3-2-4-9(12(8)16)5-20-13-11-10(15(17,18)19)6-21-14(11)23-7-22-13;1-8-2-9(4-10(16)3-8)5-20-13-12-11(15(17,18)19)6-21-14(12)23-7-22-13;1-23-11-5-3-2-4-9(11)6-19-13-12-10(15(16,17)18)7-20-14(12)22-8-21-13;15-9-3-1-2-8(4-9)5-19-12-11-10(14(16,17)18)6-20-13(11)22-7-21-12;1-2-3-7-14-12-10-13(16-8-15-12)18-11(17-10)9-5-4-6-9;1-2-3-6-13-11-9-12(15-7-14-11)17-10(16-9)8-4-5-8/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);3-9,13H,1-2H3,(H2,21,22,23,24);2-6,9-10,12H,7-8H2,1H3,(H2,17,18,19,20,21);2*2-4,6-7H,5H2,1H3,(H2,20,21,22,23);2-5,7-8H,6H2,1H3,(H2,19,20,21,22);1-4,6-7H,5H2,(H2,19,20,21,22);8-9H,2-7H2,1H3,(H2,14,15,16,17,18);7-8H,2-6H2,1H3,(H2,13,14,15,16,17)/t;13-;;;;;;;/m.1......./s1
• InChIKey: WGSFZRHPYKNADS-RAPVESGBSA-N
• XLogP: 33.75
• TPSA: 543.19 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2737.66
LogP ≤ 5	33.75
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165088319) is N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)[C@@H](Nc1ncnc2[nH]cc(C(F)(F)F)c12)c1cccnc1.CC(Nc1ncnc2nc(C3CC3)[nH]c12)c1ccccc1.CCCCNc1ncnc2nc(C3CC3)[nH]c12.CCCCNc1ncnc2nc(C3CCC3)[nH]c12.COc1ccccc1CNc1ncnc2[nH]cc(C(F)(F)F)c12.Cc1cc(F)cc(CNc2ncnc3[nH]cc(C(F)(F)F)c23)c1.Cc1cccc(CNc2ncnc3[nH]cc(C(F)(F)F)c23)c1Cl.FC(F)(F)c1c[nH]c2ncnc(NC3CCCc4ccccc43)c12.FC(F)(F)c1c[nH]c2ncnc(NCc3cccc(Cl)c3)c12.

What is the InChIKey of N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is WGSFZRHPYKNADS-RAPVESGBSA-N. The full InChI is InChI=1S/C17H15F3N4.C16H16F3N5.C16H17N5.C15H12ClF3N4.C15H12F4N4.C15H13F3N4O.C14H10ClF3N4.C13H19N5.C12H17N5/c18-17(19,20)12-8-21-15-14(12)16(23-9-22-15)24-13-7-3-5-10-4-1-2-6-11(10)13;1-9(2)13(10-4-3-5-20-6-10)24-15-12-11(16(17,18)19)7-21-14(12)22-8-23-15;1-10(11-5-3-2-4-6-11)19-15-13-16(18-9-17-15)21-14(20-13)12-7-8-12;1-8-3-2-4-9(12(8)16)5-20-13-11-10(15(17,18)19)6-21-14(11)23-7-22-13;1-8-2-9(4-10(16)3-8)5-20-13-12-11(15(17,18)19)6-21-14(12)23-7-22-13;1-23-11-5-3-2-4-9(11)6-19-13-12-10(15(16,17)18)7-20-14(12)22-8-21-13;15-9-3-1-2-8(4-9)5-19-12-11-10(14(16,17)18)6-20-13(11)22-7-21-12;1-2-3-7-14-12-10-13(16-8-15-12)18-11(17-10)9-5-4-6-9;1-2-3-6-13-11-9-12(15-7-14-11)17-10(16-9)8-4-5-8/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24);3-9,13H,1-2H3,(H2,21,22,23,24);2-6,9-10,12H,7-8H2,1H3,(H2,17,18,19,20,21);2*2-4,6-7H,5H2,1H3,(H2,20,21,22,23);2-5,7-8H,6H2,1H3,(H2,19,20,21,22);1-4,6-7H,5H2,(H2,19,20,21,22);8-9H,2-7H2,1H3,(H2,14,15,16,17,18);7-8H,2-6H2,1H3,(H2,13,14,15,16,17)/t;13-;;;;;;;/m.1......./s1.

What are the key properties of N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2737.66 g/mol, XLogP of 33.75, 33 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-8-cyclobutyl-7H-purin-6-amine;N-butyl-8-cyclopropyl-7H-purin-6-amine;N-[(2-chloro-3-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;8-cyclopropyl-N-(1-phenylethyl)-7H-purin-6-amine;N-[(3-fluoro-5-methylphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165088319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).