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

C17H23ClF3N3O3Si — CID 151810962

IUPAC2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(OC3CCOC3)nc(Cl)nc21
InChIInChI=1S/C17H23ClF3N3O3Si/c1-28(2,3)7-6-26-10-24-8-12(17(19,20)21)13-14(24)22-16(18)23-15(13)27-11-4-5-25-9-11/h8,11H,4-7,9-10H2,1-3H3
InChIKeySAPILRKFSROILQ-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.58
Rot. Bonds7

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

2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151810962) has the molecular formula C17H23ClF3N3O3Si and a molecular weight of 437.92 g/mol. Its IUPAC name is 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID151810962
Molecular FormulaC17H23ClF3N3O3Si
Molecular Weight437.92 g/mol
Exact Mass437.11
IUPAC Name2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(OC3CCOC3)nc(Cl)nc21
InChIInChI=1S/C17H23ClF3N3O3Si/c1-28(2,3)7-6-26-10-24-8-12(17(19,20)21)13-14(24)22-16(18)23-15(13)27-11-4-5-25-9-11/h8,11H,4-7,9-10H2,1-3H3
InChIKeySAPILRKFSROILQ-UHFFFAOYSA-N
XLogP4.58
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-Ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10564387
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-methoxy-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 140943574
(2R,4S,5R)-4-fluoro-5-(5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 162474940
4-Fluoro-5-(5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 166825115
Tert-butyl 3-[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 172558341
Tert-butyl 3-[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2,5-dihydropyrrole-1-carboxylate
CID 172558343
tert-butyl (3S,4R)-3-[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-4-fluoropyrrolidine-1-carboxylate
CID 172742099
2-[[2-Chloro-4-(1-fluoroazetidin-3-yl)oxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 173620777
(2R,5R)-4-fluoro-5-(5-fluoro-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 173979914
tert-butyl (3S)-3-[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 174056284

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 151810962) is 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(OC3CCOC3)nc(Cl)nc21.
What is the InChIKey of 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SAPILRKFSROILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF3N3O3Si/c1-28(2,3)7-6-26-10-24-8-12(17(19,20)21)13-14(24)22-16(18)23-15(13)27-11-4-5-25-9-11/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 437.92 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(oxolan-3-yloxy)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151810962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).