1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone

C13H19N3O2 — CID 95841877

IUPAC1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESCc1cc(C)nc(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-7-10(2)15-13(14-9)11-3-5-16(6-4-11)12(18)8-17/h7,11,17H,3-6,8H2,1-2H3
InChIKeyZWDRSQVEHMRIPW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds2

About 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone

1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 95841877) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone
PubChem CID95841877
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESCc1cc(C)nc(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-7-10(2)15-13(14-9)11-3-5-16(6-4-11)12(18)8-17/h7,11,17H,3-6,8H2,1-2H3
InChIKeyZWDRSQVEHMRIPW-UHFFFAOYSA-N
XLogP0.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone (CID 95841877) is 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone is Cc1cc(C)nc(C2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is ZWDRSQVEHMRIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-10(2)15-13(14-9)11-3-5-16(6-4-11)12(18)8-17/h7,11,17H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone?
1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 249.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-2-yl)piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 95841877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).