[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol

C11H16ClN3OS — CID 86329188

IUPAC[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCSc1nc(Cl)cc(N2CCC[C@@H](CO)C2)n1
InChIInChI=1S/C11H16ClN3OS/c1-17-11-13-9(12)5-10(14-11)15-4-2-3-8(6-15)7-16/h5,8,16H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyYOYPKOFKAGWUCL-MRVPVSSYSA-N
MW273.79 g/mol
LogP2.06
Rot. Bonds3

About [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol

[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 86329188) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID86329188
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCSc1nc(Cl)cc(N2CCC[C@@H](CO)C2)n1
InChIInChI=1S/C11H16ClN3OS/c1-17-11-13-9(12)5-10(14-11)15-4-2-3-8(6-15)7-16/h5,8,16H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyYOYPKOFKAGWUCL-MRVPVSSYSA-N
XLogP2.06
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
4-chloro-6-(3-methoxypiperidin-1-yl)-2-methylsulfanylpyrimidine
CID 102963287
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
4-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80547105
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80546846
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
4-chloro-6-(4-ethylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80545554
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 86329188) is [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol is CSc1nc(Cl)cc(N2CCC[C@@H](CO)C2)n1.
What is the InChIKey of [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is YOYPKOFKAGWUCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-17-11-13-9(12)5-10(14-11)15-4-2-3-8(6-15)7-16/h5,8,16H,2-4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol?
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 273.79 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 86329188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).