trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane

C19H22F3N3O2PSi+ — CID 175903508

IUPACtrimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c(P=O)cc2c(-c3cccc(C(F)(F)F)c3)nc[nH+]c21
InChIInChI=1S/C19H21F3N3O2PSi/c1-29(2,3)8-7-27-12-25-16(28-26)10-15-17(23-11-24-18(15)25)13-5-4-6-14(9-13)19(20,21)22/h4-6,9-11H,7-8,12H2,1-3H3/p+1
InChIKeyKXPQLSGAWSPVTK-UHFFFAOYSA-O
MW440.46 g/mol
LogP4.77
Rot. Bonds7

About trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane (PubChem CID 175903508) has the molecular formula C19H22F3N3O2PSi+ and a molecular weight of 440.46 g/mol. Its IUPAC name is trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
PubChem CID175903508
Molecular FormulaC19H22F3N3O2PSi+
Molecular Weight440.46 g/mol
Exact Mass440.12
IUPAC Nametrimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c(P=O)cc2c(-c3cccc(C(F)(F)F)c3)nc[nH+]c21
InChIInChI=1S/C19H21F3N3O2PSi/c1-29(2,3)8-7-27-12-25-16(28-26)10-15-17(23-11-24-18(15)25)13-5-4-6-14(9-13)19(20,21)22/h4-6,9-11H,7-8,12H2,1-3H3/p+1
InChIKeyKXPQLSGAWSPVTK-UHFFFAOYSA-O
XLogP4.77
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142022669
trimethyl-[2-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 59073926
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
CID 22969494
tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 90972913
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
N-[3-(trifluoromethyl)phenyl]-4-[9-(2-trimethylsilylethoxymethyl)carbazol-1-yl]pyrimidin-2-amine
CID 162537517
2-(2-ethoxyethyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
CID 78788558
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane (CID 175903508) is trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1c(P=O)cc2c(-c3cccc(C(F)(F)F)c3)nc[nH+]c21.
What is the InChIKey of trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane?
The InChIKey is KXPQLSGAWSPVTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21F3N3O2PSi/c1-29(2,3)8-7-27-12-25-16(28-26)10-15-17(23-11-24-18(15)25)13-5-4-6-14(9-13)19(20,21)22/h4-6,9-11H,7-8,12H2,1-3H3/p+1.
What are the key properties of trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane has a molecular weight of 440.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-phosphoroso-4-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-1-ium-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 175903508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).