(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol

C14H15FN2O — CID 94587725

IUPAC(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1cc(-c2ncc([C@@H](C)O)c(C)n2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-8-6-11(4-5-13(8)15)14-16-7-12(10(3)18)9(2)17-14/h4-7,10,18H,1-3H3/t10-/m1/s1
InChIKeyUHGUKZKLDWPREY-SNVBAGLBSA-N
MW246.28 g/mol
LogP2.95
Rot. Bonds2

About (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol

(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 94587725) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID94587725
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1cc(-c2ncc([C@@H](C)O)c(C)n2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-8-6-11(4-5-13(8)15)14-16-7-12(10(3)18)9(2)17-14/h4-7,10,18H,1-3H3/t10-/m1/s1
InChIKeyUHGUKZKLDWPREY-SNVBAGLBSA-N
XLogP2.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
4-[5-[(1S)-1-hydroxyethyl]-4-methylpyrimidin-2-yl]benzene-1,2-diol
CID 136938643
(1S)-1-[2-(3,4-dimethoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431547
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
CID 107922082
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635
(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-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 82802193
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol (CID 94587725) is (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol is Cc1cc(-c2ncc([C@@H](C)O)c(C)n2)ccc1F.
What is the InChIKey of (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is UHGUKZKLDWPREY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8-6-11(4-5-13(8)15)14-16-7-12(10(3)18)9(2)17-14/h4-7,10,18H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 246.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 94587725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).