5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C16H22N2O4Si — CID 54457765

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H22N2O4Si/c1-16(2,3)23(4,5)22-11-8-6-10(7-9-11)12-13(19)17-15(21)18-14(12)20/h6-9H,1-5H3,(H3,17,18,19,20,21)
InChIKeyWZKXDALDSVWDPE-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.82
Rot. Bonds3

About 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 54457765) has the molecular formula C16H22N2O4Si and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID54457765
Molecular FormulaC16H22N2O4Si
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C16H22N2O4Si/c1-16(2,3)23(4,5)22-11-8-6-10(7-9-11)12-13(19)17-15(21)18-14(12)20/h6-9H,1-5H3,(H3,17,18,19,20,21)
InChIKeyWZKXDALDSVWDPE-UHFFFAOYSA-N
XLogP2.82
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
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 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 54457765) is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)Oc1ccc(-c2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is WZKXDALDSVWDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4Si/c1-16(2,3)23(4,5)22-11-8-6-10(7-9-11)12-13(19)17-15(21)18-14(12)20/h6-9H,1-5H3,(H3,17,18,19,20,21).
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 334.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54457765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).