1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane

C15H27N3O — CID 91001277

IUPAC1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane
SMILESCC.CC.Cc1ncc(C)c(N2CCC(=O)CC2)n1
InChIInChI=1S/C11H15N3O.2C2H6/c1-8-7-12-9(2)13-11(8)14-5-3-10(15)4-6-14;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyJJNQRMQTZVVJLB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.32
Rot. Bonds1

About 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane

1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane (PubChem CID 91001277) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane.

Molecular Properties

Compound Name1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane
PubChem CID91001277
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane
SMILESCC.CC.Cc1ncc(C)c(N2CCC(=O)CC2)n1
InChIInChI=1S/C11H15N3O.2C2H6/c1-8-7-12-9(2)13-11(8)14-5-3-10(15)4-6-14;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3
InChIKeyJJNQRMQTZVVJLB-UHFFFAOYSA-N
XLogP3.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane?
The IUPAC name of 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane (CID 91001277) is 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane.
What is the SMILES notation for 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane?
The canonical SMILES for 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane is CC.CC.Cc1ncc(C)c(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane?
The InChIKey is JJNQRMQTZVVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2C2H6/c1-8-7-12-9(2)13-11(8)14-5-3-10(15)4-6-14;2*1-2/h7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane?
1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane has a molecular weight of 265.40 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane is sourced from PubChem (CID 91001277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).