pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C13H20N2O2 — CID 114622059

IUPACpyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccncn2)C(C)(C)O1
InChIInChI=1S/C13H20N2O2/c1-12(2)7-9(13(3,4)17-12)11(16)10-5-6-14-8-15-10/h5-6,8-9,11,16H,7H2,1-4H3
InChIKeyFBAZELCKRSYNQF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.10
Rot. Bonds2

About pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622059) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Namepyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622059
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namepyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccncn2)C(C)(C)O1
InChIInChI=1S/C13H20N2O2/c1-12(2)7-9(13(3,4)17-12)11(16)10-5-6-14-8-15-10/h5-6,8-9,11,16H,7H2,1-4H3
InChIKeyFBAZELCKRSYNQF-UHFFFAOYSA-N
XLogP2.10
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107357753
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(2-propylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622236
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 105132053
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114621967
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632

Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622059) is pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2ccncn2)C(C)(C)O1.
What is the InChIKey of pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is FBAZELCKRSYNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-12(2)7-9(13(3,4)17-12)11(16)10-5-6-14-8-15-10/h5-6,8-9,11,16H,7H2,1-4H3.
What are the key properties of pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).