[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol

C16H23ClN2O3Si — CID 131745489

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol
SMILESCC(C)(C)[Si](C)(C)OCc1coc(C(O)c2cncnc2Cl)c1
InChIInChI=1S/C16H23ClN2O3Si/c1-16(2,3)23(4,5)22-9-11-6-13(21-8-11)14(20)12-7-18-10-19-15(12)17/h6-8,10,14,20H,9H2,1-5H3
InChIKeyPWRVFPGDRNPKAF-UHFFFAOYSA-N
MW354.91 g/mol
LogP4.33
Rot. Bonds5

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol (PubChem CID 131745489) has the molecular formula C16H23ClN2O3Si and a molecular weight of 354.91 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol
PubChem CID131745489
Molecular FormulaC16H23ClN2O3Si
Molecular Weight354.91 g/mol
Exact Mass354.12
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol
SMILESCC(C)(C)[Si](C)(C)OCc1coc(C(O)c2cncnc2Cl)c1
InChIInChI=1S/C16H23ClN2O3Si/c1-16(2,3)23(4,5)22-9-11-6-13(21-8-11)14(20)12-7-18-10-19-15(12)17/h6-8,10,14,20H,9H2,1-5H3
InChIKeyPWRVFPGDRNPKAF-UHFFFAOYSA-N
XLogP4.33
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.91
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol (CID 131745489) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol is CC(C)(C)[Si](C)(C)OCc1coc(C(O)c2cncnc2Cl)c1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol?
The InChIKey is PWRVFPGDRNPKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3Si/c1-16(2,3)23(4,5)22-9-11-6-13(21-8-11)14(20)12-7-18-10-19-15(12)17/h6-8,10,14,20H,9H2,1-5H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol has a molecular weight of 354.91 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-(4-chloropyrimidin-5-yl)methanol is sourced from PubChem (CID 131745489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).