tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane

C16H28N2O2Si — CID 168998149

IUPACtert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane
SMILESCOc1cnc(C2CC(C)(O[Si](C)(C)C(C)(C)C)C2)nc1
InChIInChI=1S/C16H28N2O2Si/c1-15(2,3)21(6,7)20-16(4)8-12(9-16)14-17-10-13(19-5)11-18-14/h10-12H,8-9H2,1-7H3
InChIKeyUKCRIDQKMZURQC-UHFFFAOYSA-N
MW308.50 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane

tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane (PubChem CID 168998149) has the molecular formula C16H28N2O2Si and a molecular weight of 308.50 g/mol. Its IUPAC name is tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane
PubChem CID168998149
Molecular FormulaC16H28N2O2Si
Molecular Weight308.50 g/mol
Exact Mass308.19
IUPAC Nametert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane
SMILESCOc1cnc(C2CC(C)(O[Si](C)(C)C(C)(C)C)C2)nc1
InChIInChI=1S/C16H28N2O2Si/c1-15(2,3)21(6,7)20-16(4)8-12(9-16)14-17-10-13(19-5)11-18-14/h10-12H,8-9H2,1-7H3
InChIKeyUKCRIDQKMZURQC-UHFFFAOYSA-N
XLogP4.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane 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-[Fluoro(iodo)methoxy]-2-hexan-3-ylpyrimidine
CID 170391401
2-(1-Ethoxyvinyl)-5-((triisopropylsilyl)oxy)pyrimidine
CID 123646519
2-Methyl-5-(2-methylpentan-2-yloxy)pyrimidine
CID 130337254
5-Methoxy-2-(2-methylpentan-2-yl)pyrimidine
CID 132011431
5-methoxy-2-[(2S)-3-methylbutan-2-yl]pyrimidine
CID 132107375
5-[3-[(2-Methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
CID 134488902
[2,4-Dimethyl-5-[5-(3-propan-2-yloxycyclobutyl)oxypyrimidin-2-yl]pentyl] hypoiodite
CID 134581891
2-[(2R)-butan-2-yl]-5-methoxypyrimidine
CID 139509123
2-Cyclohexyl-5-methoxypyrimidine
CID 141800060
Ethane;5-(3-methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine
CID 142365487
5-(3-Methoxycyclobutyl)oxy-2-(5-methoxy-2,4-dimethylpentyl)pyrimidine
CID 142365488
2-(2,4-Dimethyl-5-propan-2-yloxypentyl)-5-(3-methoxycyclobutyl)oxypyrimidine
CID 142390727

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane (CID 168998149) is tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane is COc1cnc(C2CC(C)(O[Si](C)(C)C(C)(C)C)C2)nc1.
What is the InChIKey of tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane?
The InChIKey is UKCRIDQKMZURQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2Si/c1-15(2,3)21(6,7)20-16(4)8-12(9-16)14-17-10-13(19-5)11-18-14/h10-12H,8-9H2,1-7H3.
What are the key properties of tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane?
tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane has a molecular weight of 308.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(5-methoxypyrimidin-2-yl)-1-methylcyclobutyl]oxy-dimethylsilane is sourced from PubChem (CID 168998149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).