1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol

C11H16ClN3O — CID 63735099

IUPAC1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(Cl)c(C)c(N2CCC(O)CC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-10(12)13-8(2)14-11(7)15-5-3-9(16)4-6-15/h9,16H,3-6H2,1-2H3
InChIKeySSFRGNPSEGLVGK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.71
Rot. Bonds1

About 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol

1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 63735099) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
PubChem CID63735099
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1nc(Cl)c(C)c(N2CCC(O)CC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-10(12)13-8(2)14-11(7)15-5-3-9(16)4-6-15/h9,16H,3-6H2,1-2H3
InChIKeySSFRGNPSEGLVGK-UHFFFAOYSA-N
XLogP1.71
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol (CID 63735099) is 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol is Cc1nc(Cl)c(C)c(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is SSFRGNPSEGLVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-10(12)13-8(2)14-11(7)15-5-3-9(16)4-6-15/h9,16H,3-6H2,1-2H3.
What are the key properties of 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol?
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 241.72 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 63735099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).