3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione

C17H24N2O3Si — CID 102257176

IUPAC3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione
SMILESCCn1c(=O)c([Si](C)(C)C)c(C)n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C17H24N2O3Si/c1-7-18-16(20)15(23(4,5)6)12(2)19(17(18)21)13-8-10-14(22-3)11-9-13/h8-11H,7H2,1-6H3
InChIKeyJLKBHOWBNLMIAK-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.88
Rot. Bonds4

About 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione

3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione (PubChem CID 102257176) has the molecular formula C17H24N2O3Si and a molecular weight of 332.48 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione
PubChem CID102257176
Molecular FormulaC17H24N2O3Si
Molecular Weight332.48 g/mol
Exact Mass332.16
IUPAC Name3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione
SMILESCCn1c(=O)c([Si](C)(C)C)c(C)n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C17H24N2O3Si/c1-7-18-16(20)15(23(4,5)6)12(2)19(17(18)21)13-8-10-14(22-3)11-9-13/h8-11H,7H2,1-6H3
InChIKeyJLKBHOWBNLMIAK-UHFFFAOYSA-N
XLogP1.88
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
CID 3682674
4-(4-methoxyphenyl)-2-prop-2-enyl-1,2,4-oxadiazolidine-3,5-dione
CID 3620753
4-(2-hydroxyethyl)-2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 23661283
6-(4-methoxyphenyl)-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 715491
3-(4-methoxyphenyl)-2-methyl-5-sulfanylpyrimidin-4-one
CID 58589483
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one
CID 612085
2-amino-1-(4-methoxyphenyl)-6-methylpyrimidin-4-one
CID 19754215
1-(4-methoxyphenyl)-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 5337650
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one
CID 54561697
6-ethyl-3-(4-methoxyphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3299554
7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 21198164

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione (CID 102257176) is 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione is CCn1c(=O)c([Si](C)(C)C)c(C)n(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione?
The InChIKey is JLKBHOWBNLMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3Si/c1-7-18-16(20)15(23(4,5)6)12(2)19(17(18)21)13-8-10-14(22-3)11-9-13/h8-11H,7H2,1-6H3.
What are the key properties of 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione?
3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione has a molecular weight of 332.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxyphenyl)-6-methyl-5-trimethylsilylpyrimidine-2,4-dione is sourced from PubChem (CID 102257176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).