2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one

C16H22N2O2Si — CID 103438566

IUPAC2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H22N2O2Si/c1-12-10-15(19)18(16(17-12)20-2)11-13-6-8-14(9-7-13)21(3,4)5/h6-10H,11H2,1-5H3
InChIKeyCYDFXZCDXSFWDT-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.15
Rot. Bonds4

About 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one (PubChem CID 103438566) has the molecular formula C16H22N2O2Si and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one
PubChem CID103438566
Molecular FormulaC16H22N2O2Si
Molecular Weight302.45 g/mol
Exact Mass302.15
IUPAC Name2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H22N2O2Si/c1-12-10-15(19)18(16(17-12)20-2)11-13-6-8-14(9-7-13)21(3,4)5/h6-10H,11H2,1-5H3
InChIKeyCYDFXZCDXSFWDT-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one (CID 103438566) is 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one?
The InChIKey is CYDFXZCDXSFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2Si/c1-12-10-15(19)18(16(17-12)20-2)11-13-6-8-14(9-7-13)21(3,4)5/h6-10H,11H2,1-5H3.
What are the key properties of 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one has a molecular weight of 302.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103438566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).