2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane

C11H16N2O2Si — CID 5273945

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane
SMILESCOc1ncc(C#C[Si](C)(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O2Si/c1-14-10-9(6-7-16(3,4)5)8-12-11(13-10)15-2/h8H,1-5H3
InChIKeyPANGXXUVOCXPSU-UHFFFAOYSA-N
MW236.35 g/mol
LogP1.72
Rot. Bonds2

About 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane

2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane (PubChem CID 5273945) has the molecular formula C11H16N2O2Si and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane
PubChem CID5273945
Molecular FormulaC11H16N2O2Si
Molecular Weight236.35 g/mol
Exact Mass236.10
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane
SMILESCOc1ncc(C#C[Si](C)(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O2Si/c1-14-10-9(6-7-16(3,4)5)8-12-11(13-10)15-2/h8H,1-5H3
InChIKeyPANGXXUVOCXPSU-UHFFFAOYSA-N
XLogP1.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
Bis(O-trimethylsilyl)thymine
CID 81705
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
5-Ethynyl-2,4-dimethoxypyrimidine
CID 5273946
4-Methoxy-5-methylpyrimidine
CID 13861006
5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-ol
CID 387187
5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-one
CID 387188
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
2,4-Dimethoxy-5-(tributylstannyl)pyrimidine
CID 58719737
(NE)-N-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydroxylamine
CID 135080134
5-Fluoro-4-methoxy-2-((trimethylsilyl)ethynyl)pyrimidine
CID 67327167
4-Methoxy-5-(trifluoromethyl)pyrimidine
CID 100024360

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane (CID 5273945) is 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane is COc1ncc(C#C[Si](C)(C)C)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane?
The InChIKey is PANGXXUVOCXPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2Si/c1-14-10-9(6-7-16(3,4)5)8-12-11(13-10)15-2/h8H,1-5H3.
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane?
2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane has a molecular weight of 236.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 5273945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).