4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol

C19H28N2O2Si — CID 139657253

IUPAC4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
SMILESCC(CCCCc1cnc(-c2ccc(O)cc2)nc1)O[Si](C)(C)C
InChIInChI=1S/C19H28N2O2Si/c1-15(23-24(2,3)4)7-5-6-8-16-13-20-19(21-14-16)17-9-11-18(22)12-10-17/h9-15,22H,5-8H2,1-4H3
InChIKeyHYUUYGDMBSGSFM-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.80
Rot. Bonds8

About 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol

4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol (PubChem CID 139657253) has the molecular formula C19H28N2O2Si and a molecular weight of 344.53 g/mol. Its IUPAC name is 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
PubChem CID139657253
Molecular FormulaC19H28N2O2Si
Molecular Weight344.53 g/mol
Exact Mass344.19
IUPAC Name4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
SMILESCC(CCCCc1cnc(-c2ccc(O)cc2)nc1)O[Si](C)(C)C
InChIInChI=1S/C19H28N2O2Si/c1-15(23-24(2,3)4)7-5-6-8-16-13-20-19(21-14-16)17-9-11-18(22)12-10-17/h9-15,22H,5-8H2,1-4H3
InChIKeyHYUUYGDMBSGSFM-UHFFFAOYSA-N
XLogP4.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.80
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'}

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Related Compounds

7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane
CID 139657691
4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol
CID 139657317
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
4-[5-(4-phenylbutyl)pyrimidin-2-yl]phenol
CID 135841595
5-(9-methyldecyl)-2-[4-(9-methyldecyl)phenyl]pyrimidine
CID 139601485
5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine
CID 19991217
4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
CID 136889444
5-[(7S)-7-methylnonyl]-2-[4-[(2R)-octan-2-yl]oxyphenyl]pyrimidine
CID 67826945
[4-[5-(7-phenylmethoxyoctyl)pyrimidin-2-yl]phenyl] acetate
CID 139657658
4-[4-(6-methoxyheptyl)phenyl]phenol
CID 139651988
2-(4-hexylphenyl)-5-(9-methyldecyl)pyrimidine
CID 139803492
5-hexyl-2-[4-(8-methylnonyl)phenyl]pyrimidine
CID 139626601

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol (CID 139657253) is 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol is CC(CCCCc1cnc(-c2ccc(O)cc2)nc1)O[Si](C)(C)C.
What is the InChIKey of 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol?
The InChIKey is HYUUYGDMBSGSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2Si/c1-15(23-24(2,3)4)7-5-6-8-16-13-20-19(21-14-16)17-9-11-18(22)12-10-17/h9-15,22H,5-8H2,1-4H3.
What are the key properties of 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol?
4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol has a molecular weight of 344.53 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 139657253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).