1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione

C26H34N2O3Si — CID 11633797

IUPAC1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OCCCCCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O3Si/c1-26(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-19-28-20-18-24(29)27-25(28)30/h6-11,14-18,20H,4-5,12-13,19,21H2,1-3H3,(H,27,29,30)
InChIKeyOJOUHIKBDMPHTA-UHFFFAOYSA-N
MW450.66 g/mol
LogP3.67
Rot. Bonds10

About 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione

1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione (PubChem CID 11633797) has the molecular formula C26H34N2O3Si and a molecular weight of 450.66 g/mol. Its IUPAC name is 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione
PubChem CID11633797
Molecular FormulaC26H34N2O3Si
Molecular Weight450.66 g/mol
Exact Mass450.23
IUPAC Name1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OCCCCCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O3Si/c1-26(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-19-28-20-18-24(29)27-25(28)30/h6-11,14-18,20H,4-5,12-13,19,21H2,1-3H3,(H,27,29,30)
InChIKeyOJOUHIKBDMPHTA-UHFFFAOYSA-N
XLogP3.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione (CID 11633797) is 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione is CC(C)(C)[Si](OCCCCCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione?
The InChIKey is OJOUHIKBDMPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3Si/c1-26(2,3)32(22-14-8-6-9-15-22,23-16-10-7-11-17-23)31-21-13-5-4-12-19-28-20-18-24(29)27-25(28)30/h6-11,14-18,20H,4-5,12-13,19,21H2,1-3H3,(H,27,29,30).
What are the key properties of 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione?
1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione has a molecular weight of 450.66 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11633797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).