4-phenacyl-1-propan-2-ylpyrimidin-2-one

C15H16N2O2 — CID 157407456

IUPAC4-phenacyl-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1ccc(CC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C15H16N2O2/c1-11(2)17-9-8-13(16-15(17)19)10-14(18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyYFXUTQQTRKTGTB-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.25
Rot. Bonds4

About 4-phenacyl-1-propan-2-ylpyrimidin-2-one

4-phenacyl-1-propan-2-ylpyrimidin-2-one (PubChem CID 157407456) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-phenacyl-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-phenacyl-1-propan-2-ylpyrimidin-2-one
PubChem CID157407456
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-phenacyl-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1ccc(CC(=O)c2ccccc2)nc1=O
InChIInChI=1S/C15H16N2O2/c1-11(2)17-9-8-13(16-15(17)19)10-14(18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyYFXUTQQTRKTGTB-UHFFFAOYSA-N
XLogP2.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenacyl-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of 4-phenacyl-1-propan-2-ylpyrimidin-2-one (CID 157407456) is 4-phenacyl-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for 4-phenacyl-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for 4-phenacyl-1-propan-2-ylpyrimidin-2-one is CC(C)n1ccc(CC(=O)c2ccccc2)nc1=O.
What is the InChIKey of 4-phenacyl-1-propan-2-ylpyrimidin-2-one?
The InChIKey is YFXUTQQTRKTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(2)17-9-8-13(16-15(17)19)10-14(18)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-phenacyl-1-propan-2-ylpyrimidin-2-one?
4-phenacyl-1-propan-2-ylpyrimidin-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenacyl-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 157407456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).