3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine

C₁₀₁H₁₅₁F₆N₁₁O₁₄Si — CID 157468502

About 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine

3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine (PubChem CID 157468502) has the molecular formula C₁₀₁H₁₅₁F₆N₁₁O₁₄Si and a molecular weight of 1885.46 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine
• PubChem CID: 157468502
• Molecular Formula: C₁₀₁H₁₅₁F₆N₁₁O₁₄Si
• Molecular Weight: 1885.46 g/mol
• Exact Mass: 1884.11
• IUPAC Name: 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine
• SMILES: CC(C)(C)N(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)NCCn1cnc2ccccc2c1=O.COc1cc(NCC(C)(C)C)cc(OC)c1OC.COc1ccc(N(CCO)CC(C)(C)C)cc1OC.COc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CC(C)(C)C)cc1OC.COc1ccc(Nc2ccnc(NCC(C)(C)C)n2)cc1OC
• InChI: InChI=1S/C21H39NO3Si.C20H21F6NO2.C17H24N4O2.C15H25NO3.C14H19N3O.C14H23NO3/c1-20(2,3)16-22(13-14-25-26(9,10)21(4,5)6)17-11-12-18(23-7)19(15-17)24-8;1-18(2,3)27(12-14-4-8-16(9-5-14)28-19(21,22)23)13-15-6-10-17(11-7-15)29-20(24,25)26;1-17(2,3)11-19-16-18-9-8-15(21-16)20-12-6-7-13(22-4)14(10-12)23-5;1-15(2,3)11-16(8-9-17)12-6-7-13(18-4)14(10-12)19-5;1-14(2,3)16-8-9-17-10-15-12-7-5-4-6-11(12)13(17)18;1-14(2,3)9-15-10-7-11(16-4)13(18-6)12(8-10)17-5/h11-12,15H,13-14,16H2,1-10H3;4-11H,12-13H2,1-3H3;6-10H,11H2,1-5H3,(H2,18,19,20,21);6-7,10,17H,8-9,11H2,1-5H3;4-7,10,16H,8-9H2,1-3H3;7-8,15H,9H2,1-6H3
• InChIKey: BUTDKPRAYVDRQS-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 249.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.46
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine?

The IUPAC name of 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine (CID 157468502) is 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine.

What is the SMILES notation for 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine?

The canonical SMILES for 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine is CC(C)(C)N(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1.CC(C)(C)NCCn1cnc2ccccc2c1=O.COc1cc(NCC(C)(C)C)cc(OC)c1OC.COc1ccc(N(CCO)CC(C)(C)C)cc1OC.COc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CC(C)(C)C)cc1OC.COc1ccc(Nc2ccnc(NCC(C)(C)C)n2)cc1OC.

What is the InChIKey of 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine?

The InChIKey is BUTDKPRAYVDRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO3Si.C20H21F6NO2.C17H24N4O2.C15H25NO3.C14H19N3O.C14H23NO3/c1-20(2,3)16-22(13-14-25-26(9,10)21(4,5)6)17-11-12-18(23-7)19(15-17)24-8;1-18(2,3)27(12-14-4-8-16(9-5-14)28-19(21,22)23)13-15-6-10-17(11-7-15)29-20(24,25)26;1-17(2,3)11-19-16-18-9-8-15(21-16)20-12-6-7-13(22-4)14(10-12)23-5;1-15(2,3)11-16(8-9-17)12-6-7-13(18-4)14(10-12)19-5;1-14(2,3)16-8-9-17-10-15-12-7-5-4-6-11(12)13(17)18;1-14(2,3)9-15-10-7-11(16-4)13(18-6)12(8-10)17-5/h11-12,15H,13-14,16H2,1-10H3;4-11H,12-13H2,1-3H3;6-10H,11H2,1-5H3,(H2,18,19,20,21);6-7,10,17H,8-9,11H2,1-5H3;4-7,10,16H,8-9H2,1-3H3;7-8,15H,9H2,1-6H3.

What are the key properties of 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine?

3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 1885.46 g/mol, XLogP of 23.06, 34 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(tert-butylamino)ethyl]quinazolin-4-one;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,2-dimethylpropyl)-3,4-dimethoxyaniline;4-N-(3,4-dimethoxyphenyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;2-[N-(2,2-dimethylpropyl)-3,4-dimethoxyanilino]ethanol;N-(2,2-dimethylpropyl)-3,4,5-trimethoxyaniline;2-methyl-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 157468502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157468502 — identifiers, structure, computed properties (public domain)

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