N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C23H34F3N3O2Si — CID 58970347

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCCc1cnc(N(CCCCO[Si](C)(C)C(C)(C)C)c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C23H34F3N3O2Si/c1-7-18-16-27-21(28-17-18)29(14-8-9-15-30-32(5,6)22(2,3)4)19-10-12-20(13-11-19)31-23(24,25)26/h10-13,16-17H,7-9,14-15H2,1-6H3
InChIKeyQKGMBLUWMPYFFO-UHFFFAOYSA-N
MW469.62 g/mol
LogP6.88
Rot. Bonds10

About N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 58970347) has the molecular formula C23H34F3N3O2Si and a molecular weight of 469.62 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID58970347
Molecular FormulaC23H34F3N3O2Si
Molecular Weight469.62 g/mol
Exact Mass469.24
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESCCc1cnc(N(CCCCO[Si](C)(C)C(C)(C)C)c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C23H34F3N3O2Si/c1-7-18-16-27-21(28-17-18)29(14-8-9-15-30-32(5,6)22(2,3)4)19-10-12-20(13-11-19)31-23(24,25)26/h10-13,16-17H,7-9,14-15H2,1-6H3
InChIKeyQKGMBLUWMPYFFO-UHFFFAOYSA-N
XLogP6.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.62
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[N-(5-ethylpyrimidin-2-yl)-4-(trifluoromethoxy)anilino]butanal
CID 58970299
3-[(5-ethylpyrimidin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanal
CID 58970303
N-ethyl-4,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 4111851
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
CID 18346510
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
CID 175965094
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 58970347) is N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is CCc1cnc(N(CCCCO[Si](C)(C)C(C)(C)C)c2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is QKGMBLUWMPYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O2Si/c1-7-18-16-27-21(28-17-18)29(14-8-9-15-30-32(5,6)22(2,3)4)19-10-12-20(13-11-19)31-23(24,25)26/h10-13,16-17H,7-9,14-15H2,1-6H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 469.62 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 58970347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).