2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane

C15H21ClF3N3OSi — CID 175479555

IUPAC2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cccc1C1=CC(Cl)(C(F)(F)F)N=CN1
InChIInChI=1S/C15H21ClF3N3OSi/c1-24(2,3)8-7-23-11-22-6-4-5-13(22)12-9-14(16,15(17,18)19)21-10-20-12/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,21)
InChIKeyCSJVSAUQYGZMNN-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.27
Rot. Bonds6

About 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175479555) has the molecular formula C15H21ClF3N3OSi and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175479555
Molecular FormulaC15H21ClF3N3OSi
Molecular Weight379.89 g/mol
Exact Mass379.11
IUPAC Name2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cccc1C1=CC(Cl)(C(F)(F)F)N=CN1
InChIInChI=1S/C15H21ClF3N3OSi/c1-24(2,3)8-7-23-11-22-6-4-5-13(22)12-9-14(16,15(17,18)19)21-10-20-12/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,21)
InChIKeyCSJVSAUQYGZMNN-UHFFFAOYSA-N
XLogP4.27
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane (CID 175479555) is 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cccc1C1=CC(Cl)(C(F)(F)F)N=CN1.
What is the InChIKey of 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CSJVSAUQYGZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N3OSi/c1-24(2,3)8-7-23-11-22-6-4-5-13(22)12-9-14(16,15(17,18)19)21-10-20-12/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 379.89 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-chloro-4-(trifluoromethyl)-1H-pyrimidin-6-yl]pyrrol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175479555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).