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

C21H29N5O2Si — CID 164881436

IUPAC2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCCOc1ncnc(C2CC2)c1-c1ncc2c(ccn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C21H29N5O2Si/c1-5-28-21-18(19(15-6-7-15)23-13-24-21)20-22-12-17-16(25-20)8-9-26(17)14-27-10-11-29(2,3)4/h8-9,12-13,15H,5-7,10-11,14H2,1-4H3
InChIKeyIWOYSJINVFHCPQ-UHFFFAOYSA-N
MW411.58 g/mol
LogP4.48
Rot. Bonds9

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

2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881436) has the molecular formula C21H29N5O2Si and a molecular weight of 411.58 g/mol. Its IUPAC name is 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881436
Molecular FormulaC21H29N5O2Si
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC Name2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCCOc1ncnc(C2CC2)c1-c1ncc2c(ccn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C21H29N5O2Si/c1-5-28-21-18(19(15-6-7-15)23-13-24-21)20-22-12-17-16(25-20)8-9-26(17)14-27-10-11-29(2,3)4/h8-9,12-13,15H,5-7,10-11,14H2,1-4H3
InChIKeyIWOYSJINVFHCPQ-UHFFFAOYSA-N
XLogP4.48
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.48
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-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881265
2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 171781729
2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 164881022
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-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
2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 66599709
2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 164881368
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
CID 86762617
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane (CID 164881436) is 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane is CCOc1ncnc(C2CC2)c1-c1ncc2c(ccn2COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is IWOYSJINVFHCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2Si/c1-5-28-21-18(19(15-6-7-15)23-13-24-21)20-22-12-17-16(25-20)8-9-26(17)14-27-10-11-29(2,3)4/h8-9,12-13,15H,5-7,10-11,14H2,1-4H3.
What are the key properties of 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 411.58 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).