2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane

C20H25F2N5O2Si — CID 164881265

IUPAC2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2CC2(F)F)c1-c1ncc2c(ccn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C20H25F2N5O2Si/c1-28-19-16(17(24-11-25-19)13-9-20(13,21)22)18-23-10-15-14(26-18)5-6-27(15)12-29-7-8-30(2,3)4/h5-6,10-11,13H,7-9,12H2,1-4H3
InChIKeyANJXCDNGYQWBBZ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.33
Rot. Bonds8

About 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane

2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881265) has the molecular formula C20H25F2N5O2Si and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881265
Molecular FormulaC20H25F2N5O2Si
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ncnc(C2CC2(F)F)c1-c1ncc2c(ccn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C20H25F2N5O2Si/c1-28-19-16(17(24-11-25-19)13-9-20(13,21)22)18-23-10-15-14(26-18)5-6-27(15)12-29-7-8-30(2,3)4/h5-6,10-11,13H,7-9,12H2,1-4H3
InChIKeyANJXCDNGYQWBBZ-UHFFFAOYSA-N
XLogP4.33
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881436
trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane
CID 164880991
2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 171781729
2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 66599709
2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 164881022
2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 164881012
2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 172608788
[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
CID 86762617
2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(3-iodo-2-methoxypyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175229511

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane (CID 164881265) is 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane is COc1ncnc(C2CC2(F)F)c1-c1ncc2c(ccn2COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ANJXCDNGYQWBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2Si/c1-28-19-16(17(24-11-25-19)13-9-20(13,21)22)18-23-10-15-14(26-18)5-6-27(15)12-29-7-8-30(2,3)4/h5-6,10-11,13H,7-9,12H2,1-4H3.
What are the key properties of 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 433.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).