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

C13H13ClN2O — CID 94587738

IUPAC(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccccc2Cl)ncc1[C@H](C)O
InChIInChI=1S/C13H13ClN2O/c1-8-11(9(2)17)7-15-13(16-8)10-5-3-4-6-12(10)14/h3-7,9,17H,1-2H3/t9-/m0/s1
InChIKeyOTBUKIRYUWOEAU-VIFPVBQESA-N
MW248.71 g/mol
LogP3.16
Rot. Bonds2

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

(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 94587738) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID94587738
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccccc2Cl)ncc1[C@H](C)O
InChIInChI=1S/C13H13ClN2O/c1-8-11(9(2)17)7-15-13(16-8)10-5-3-4-6-12(10)14/h3-7,9,17H,1-2H3/t9-/m0/s1
InChIKeyOTBUKIRYUWOEAU-VIFPVBQESA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
CID 103431340
(1R)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 114015484
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431412
(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431623
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
CID 107922082
(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
CID 103431364
2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 55113438

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol (CID 94587738) is (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(-c2ccccc2Cl)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is OTBUKIRYUWOEAU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-11(9(2)17)7-15-13(16-8)10-5-3-4-6-12(10)14/h3-7,9,17H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 248.71 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 94587738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).