1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol

C15H24F2N2O2Si — CID 154620683

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(C2(O)CC(F)(F)C2)n1
InChIInChI=1S/C15H24F2N2O2Si/c1-13(2,3)22(4,5)21-8-11-6-7-18-12(19-11)14(20)9-15(16,17)10-14/h6-7,20H,8-10H2,1-5H3
InChIKeyMHKUYVUTEUFWHO-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol (PubChem CID 154620683) has the molecular formula C15H24F2N2O2Si and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol
PubChem CID154620683
Molecular FormulaC15H24F2N2O2Si
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(C2(O)CC(F)(F)C2)n1
InChIInChI=1S/C15H24F2N2O2Si/c1-13(2,3)22(4,5)21-8-11-6-7-18-12(19-11)14(20)9-15(16,17)10-14/h6-7,20H,8-10H2,1-5H3
InChIKeyMHKUYVUTEUFWHO-UHFFFAOYSA-N
XLogP3.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.62
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

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]cyclobutan-1-ol
CID 150333983
2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
CID 150670696
[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol
CID 154608214
[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696
3-[2-[[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-4-fluoropiperidin-4-yl]methoxy]ethoxy]propane-1,2-diol
CID 151882012
tert-butyl [2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl] carbonate
CID 151183101
ethane;4-ethyl-2-(1-fluorocyclopropyl)pyrimidine
CID 176665302
N-tert-butyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
CID 140891501
ethyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-ene-1-carboxylate
CID 151792264
tert-butyl-[(3-fluoro-4-iodo-2-pyridinyl)methoxy]-dimethylsilane
CID 162681170
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol (CID 154620683) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol is CC(C)(C)[Si](C)(C)OCc1ccnc(C2(O)CC(F)(F)C2)n1.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol?
The InChIKey is MHKUYVUTEUFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2Si/c1-13(2,3)22(4,5)21-8-11-6-7-18-12(19-11)14(20)9-15(16,17)10-14/h6-7,20H,8-10H2,1-5H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol has a molecular weight of 330.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol is sourced from PubChem (CID 154620683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).