2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol

C13H20ClN3O — CID 55230250

IUPAC2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1nc(Cl)c(C)c(N2CCCCC2CCO)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17-7-4-3-5-11(17)6-8-18/h11,18H,3-8H2,1-2H3
InChIKeyMXIACDCJLGFXDF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.49
Rot. Bonds3

About 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 55230250) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID55230250
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1nc(Cl)c(C)c(N2CCCCC2CCO)n1
InChIInChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17-7-4-3-5-11(17)6-8-18/h11,18H,3-8H2,1-2H3
InChIKeyMXIACDCJLGFXDF-UHFFFAOYSA-N
XLogP2.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol (CID 55230250) is 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol is Cc1nc(Cl)c(C)c(N2CCCCC2CCO)n1.
What is the InChIKey of 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is MXIACDCJLGFXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-12(14)15-10(2)16-13(9)17-7-4-3-5-11(17)6-8-18/h11,18H,3-8H2,1-2H3.
What are the key properties of 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 269.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 55230250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).