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

C14H15ClN2OS — CID 103431412

IUPAC(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(CSc2ccccc2Cl)ncc1[C@@H](C)O
InChIInChI=1S/C14H15ClN2OS/c1-9-11(10(2)18)7-16-14(17-9)8-19-13-6-4-3-5-12(13)15/h3-7,10,18H,8H2,1-2H3/t10-/m1/s1
InChIKeyBFLJFHUEXLWHKL-SNVBAGLBSA-N
MW294.81 g/mol
LogP3.78
Rot. Bonds4

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

(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431412) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431412
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(CSc2ccccc2Cl)ncc1[C@@H](C)O
InChIInChI=1S/C14H15ClN2OS/c1-9-11(10(2)18)7-16-14(17-9)8-19-13-6-4-3-5-12(13)15/h3-7,10,18H,8H2,1-2H3/t10-/m1/s1
InChIKeyBFLJFHUEXLWHKL-SNVBAGLBSA-N
XLogP3.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66153716
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
(1S)-1-[4-methyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]ethanol
CID 103431479
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanone
CID 66155070
(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
(1S)-1-[2-[(3-bromophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431448
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347
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
4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
CID 66153318

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol (CID 103431412) is (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol is Cc1nc(CSc2ccccc2Cl)ncc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is BFLJFHUEXLWHKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-11(10(2)18)7-16-14(17-9)8-19-13-6-4-3-5-12(13)15/h3-7,10,18H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 294.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).