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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Related Compounds

[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696
[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrimidin-4-yl]methanol
CID 140964248
3-[2-[[2-[4-(2-hydroxyethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 175864040
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
CID 141113158
[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol
CID 154608214
[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
CID 154608144
tert-butyl [2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl] carbonate
CID 151183101
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]cyclobutan-1-ol
CID 150333983
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol
CID 154620683
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
ethyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-ene-1-carboxylate
CID 151792264

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).