4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one

C14H19N5O2 — CID 110271803

IUPAC4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one
SMILESCC(=O)N1CCC1c1cc(N2CCNC(=O)C2)nc(C)n1
InChIInChI=1S/C14H19N5O2/c1-9-16-11(12-3-5-19(12)10(2)20)7-13(17-9)18-6-4-15-14(21)8-18/h7,12H,3-6,8H2,1-2H3,(H,15,21)
InChIKeyLQLLPCYRPZOSDL-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.01
Rot. Bonds2

About 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one

4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one (PubChem CID 110271803) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one
PubChem CID110271803
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one
SMILESCC(=O)N1CCC1c1cc(N2CCNC(=O)C2)nc(C)n1
InChIInChI=1S/C14H19N5O2/c1-9-16-11(12-3-5-19(12)10(2)20)7-13(17-9)18-6-4-15-14(21)8-18/h7,12H,3-6,8H2,1-2H3,(H,15,21)
InChIKeyLQLLPCYRPZOSDL-UHFFFAOYSA-N
XLogP0.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one (CID 110271803) is 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one is CC(=O)N1CCC1c1cc(N2CCNC(=O)C2)nc(C)n1.
What is the InChIKey of 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is LQLLPCYRPZOSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-16-11(12-3-5-19(12)10(2)20)7-13(17-9)18-6-4-15-14(21)8-18/h7,12H,3-6,8H2,1-2H3,(H,15,21).
What are the key properties of 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one?
4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 289.34 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-acetylazetidin-2-yl)-2-methylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 110271803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).