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

C14H15FN2O — CID 103431425

IUPAC(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(Cc2ccccc2F)ncc1[C@H](C)O
InChIInChI=1S/C14H15FN2O/c1-9-12(10(2)18)8-16-14(17-9)7-11-5-3-4-6-13(11)15/h3-6,8,10,18H,7H2,1-2H3/t10-/m0/s1
InChIKeyXHKXDIORAGEIJD-JTQLQIEISA-N
MW246.28 g/mol
LogP2.57
Rot. Bonds3

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

(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431425) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431425
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(Cc2ccccc2F)ncc1[C@H](C)O
InChIInChI=1S/C14H15FN2O/c1-9-12(10(2)18)8-16-14(17-9)7-11-5-3-4-6-13(11)15/h3-6,8,10,18H,7H2,1-2H3/t10-/m0/s1
InChIKeyXHKXDIORAGEIJD-JTQLQIEISA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 62770681
(1R)-1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 103431391
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
2-[(2-fluorophenyl)methyl]-5-(2-methylpropanoyl)pyrimidine-4-carboxylic acid
CID 82170437
(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431412
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
CID 94607488
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol (CID 103431425) is (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol is Cc1nc(Cc2ccccc2F)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is XHKXDIORAGEIJD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-12(10(2)18)8-16-14(17-9)7-11-5-3-4-6-13(11)15/h3-6,8,10,18H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 246.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).