2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol

C19H28N2O2Si — CID 150670696

IUPAC2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(-c2ccc(CCO)cc2)n1
InChIInChI=1S/C19H28N2O2Si/c1-19(2,3)24(4,5)23-14-17-10-12-20-18(21-17)16-8-6-15(7-9-16)11-13-22/h6-10,12,22H,11,13-14H2,1-5H3
InChIKeyJFUVKLJRDUFJRM-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.20
Rot. Bonds6

About 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol

2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol (PubChem CID 150670696) has the molecular formula C19H28N2O2Si and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
PubChem CID150670696
Molecular FormulaC19H28N2O2Si
Molecular Weight344.53 g/mol
Exact Mass344.19
IUPAC Name2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(-c2ccc(CCO)cc2)n1
InChIInChI=1S/C19H28N2O2Si/c1-19(2,3)24(4,5)23-14-17-10-12-20-18(21-17)16-8-6-15(7-9-16)11-13-22/h6-10,12,22H,11,13-14H2,1-5H3
InChIKeyJFUVKLJRDUFJRM-UHFFFAOYSA-N
XLogP4.20
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
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-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol (CID 150670696) is 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol is CC(C)(C)[Si](C)(C)OCc1ccnc(-c2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol?
The InChIKey is JFUVKLJRDUFJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2Si/c1-19(2,3)24(4,5)23-14-17-10-12-20-18(21-17)16-8-6-15(7-9-16)11-13-22/h6-10,12,22H,11,13-14H2,1-5H3.
What are the key properties of 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol?
2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol has a molecular weight of 344.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol is sourced from PubChem (CID 150670696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).