[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol

C19H32N2O2Si — CID 154608214

IUPAC[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(C2=CC[C@](C)(CO)CC2)n1
InChIInChI=1S/C19H32N2O2Si/c1-18(2,3)24(5,6)23-13-16-9-12-20-17(21-16)15-7-10-19(4,14-22)11-8-15/h7,9,12,22H,8,10-11,13-14H2,1-6H3/t19-/m0/s1
InChIKeyXVBSLKUKVRLPSH-IBGZPJMESA-N
MW348.56 g/mol
LogP4.56
Rot. Bonds5

About [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol

[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol (PubChem CID 154608214) has the molecular formula C19H32N2O2Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol
PubChem CID154608214
Molecular FormulaC19H32N2O2Si
Molecular Weight348.56 g/mol
Exact Mass348.22
IUPAC Name[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(C2=CC[C@](C)(CO)CC2)n1
InChIInChI=1S/C19H32N2O2Si/c1-18(2,3)24(5,6)23-13-16-9-12-20-17(21-16)15-7-10-19(4,14-22)11-8-15/h7,9,12,22H,8,10-11,13-14H2,1-6H3/t19-/m0/s1
InChIKeyXVBSLKUKVRLPSH-IBGZPJMESA-N
XLogP4.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.56
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

tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
CID 150467451
ethyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-ene-1-carboxylate
CID 151792264
2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
CID 150670696
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]cyclobutan-1-ol
CID 150333983
[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol
CID 154620683
[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol
CID 150790067
tert-butyl [2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl] carbonate
CID 151183101
[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrimidin-4-yl]methanol
CID 140964248
3-[2-[[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-4-fluoropiperidin-4-yl]methoxy]ethoxy]propane-1,2-diol
CID 151882012
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane
CID 154608291

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol (CID 154608214) is [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol is CC(C)(C)[Si](C)(C)OCc1ccnc(C2=CC[C@](C)(CO)CC2)n1.
What is the InChIKey of [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol?
The InChIKey is XVBSLKUKVRLPSH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N2O2Si/c1-18(2,3)24(5,6)23-13-16-9-12-20-17(21-16)15-7-10-19(4,14-22)11-8-15/h7,9,12,22H,8,10-11,13-14H2,1-6H3/t19-/m0/s1.
What are the key properties of [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol?
[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol has a molecular weight of 348.56 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 154608214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).