2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C14H19ClF3N3O2Si — CID 140943574

IUPAC2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C14H19ClF3N3O2Si/c1-22-12-10-9(14(16,17)18)7-21(11(10)19-13(15)20-12)8-23-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyISBLFLNUVZCEND-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.42
Rot. Bonds6

About 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140943574) has the molecular formula C14H19ClF3N3O2Si and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID140943574
Molecular FormulaC14H19ClF3N3O2Si
Molecular Weight381.86 g/mol
Exact Mass381.09
IUPAC Name2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C
InChIInChI=1S/C14H19ClF3N3O2Si/c1-22-12-10-9(14(16,17)18)7-21(11(10)19-13(15)20-12)8-23-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3
InChIKeyISBLFLNUVZCEND-UHFFFAOYSA-N
XLogP4.42
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.42
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'}

Analyze 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 71299223
4-Methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10494156
4-Ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10564387
4-Methoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10635190
7-(Ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10730472
4-Ethoxy-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10755209
7-(Ethoxymethyl)-4-methoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10847159
4-Ethoxy-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10848002
4-methoxy-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 91810228
2-chloro-4-ethoxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 126482508
2-[(2-Chloro-5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140943514
2-[[2-Chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 151810962

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 140943574) is 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is COc1nc(Cl)nc2c1c(C(F)(F)F)cn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ISBLFLNUVZCEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O2Si/c1-22-12-10-9(14(16,17)18)7-21(11(10)19-13(15)20-12)8-23-5-6-24(2,3)4/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 381.86 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140943574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).