(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol

C13H13FN2O — CID 103431586

IUPAC(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccc(F)cc2)ncc1[C@H](C)O
InChIInChI=1S/C13H13FN2O/c1-8-12(9(2)17)7-15-13(16-8)10-3-5-11(14)6-4-10/h3-7,9,17H,1-2H3/t9-/m0/s1
InChIKeyIAJIQIXXSPLDBY-VIFPVBQESA-N
MW232.26 g/mol
LogP2.64
Rot. Bonds2

About (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431586) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431586
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccc(F)cc2)ncc1[C@H](C)O
InChIInChI=1S/C13H13FN2O/c1-8-12(9(2)17)7-15-13(16-8)10-3-5-11(14)6-4-10/h3-7,9,17H,1-2H3/t9-/m0/s1
InChIKeyIAJIQIXXSPLDBY-VIFPVBQESA-N
XLogP2.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587725
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
4-[5-[(1S)-1-hydroxyethyl]-4-methylpyrimidin-2-yl]benzene-1,2-diol
CID 136938643
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635
(1S)-1-[2-(3,4-dimethoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431547
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
CID 107922082
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
1-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)ethanol
CID 62769436
1-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932
(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
CID 103431364

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431586) is (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(-c2ccc(F)cc2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is IAJIQIXXSPLDBY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-12(9(2)17)7-15-13(16-8)10-3-5-11(14)6-4-10/h3-7,9,17H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 232.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).