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

C11H17N3OS — CID 86329335

IUPAC[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
SMILESCSc1nccc(N2CCCC[C@@H]2CO)n1
InChIInChI=1S/C11H17N3OS/c1-16-11-12-6-5-10(13-11)14-7-3-2-4-9(14)8-15/h5-6,9,15H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyYANXXMMCDVKMKO-SECBINFHSA-N
MW239.34 g/mol
LogP1.55
Rot. Bonds3

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

[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol (PubChem CID 86329335) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
PubChem CID86329335
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
SMILESCSc1nccc(N2CCCC[C@@H]2CO)n1
InChIInChI=1S/C11H17N3OS/c1-16-11-12-6-5-10(13-11)14-7-3-2-4-9(14)8-15/h5-6,9,15H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyYANXXMMCDVKMKO-SECBINFHSA-N
XLogP1.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
CID 116633953
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
[1-(6-aminopyrazin-2-yl)piperidin-2-yl]methanol
CID 80648142
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol (CID 86329335) is [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol is CSc1nccc(N2CCCC[C@@H]2CO)n1.
What is the InChIKey of [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol?
The InChIKey is YANXXMMCDVKMKO-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-16-11-12-6-5-10(13-11)14-7-3-2-4-9(14)8-15/h5-6,9,15H,2-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol?
[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol has a molecular weight of 239.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 86329335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).