4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine

C14H15ClF3N3Si — CID 134959686

IUPAC4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine
SMILESC[Si](C)(C)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1Cl
InChIInChI=1S/C14H15ClF3N3Si/c1-22(2,3)11-8-19-13(21-12(11)15)20-10-6-4-9(5-7-10)14(16,17)18/h4-8H,1-3H3,(H,19,20,21)
InChIKeyXQURLIRIXFVVFB-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.44
Rot. Bonds3

About 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine

4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine (PubChem CID 134959686) has the molecular formula C14H15ClF3N3Si and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine
PubChem CID134959686
Molecular FormulaC14H15ClF3N3Si
Molecular Weight345.83 g/mol
Exact Mass345.07
IUPAC Name4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine
SMILESC[Si](C)(C)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1Cl
InChIInChI=1S/C14H15ClF3N3Si/c1-22(2,3)11-8-19-13(21-12(11)15)20-10-6-4-9(5-7-10)14(16,17)18/h4-8H,1-3H3,(H,19,20,21)
InChIKeyXQURLIRIXFVVFB-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine (CID 134959686) is 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine is C[Si](C)(C)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1Cl.
What is the InChIKey of 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine?
The InChIKey is XQURLIRIXFVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3Si/c1-22(2,3)11-8-19-13(21-12(11)15)20-10-6-4-9(5-7-10)14(16,17)18/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine?
4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine has a molecular weight of 345.83 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(trifluoromethyl)phenyl]-5-trimethylsilylpyrimidin-2-amine is sourced from PubChem (CID 134959686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).