5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one

C17H19N3O3 — CID 839888

IUPAC5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one
SMILESCC(=O)c1c(N2CCOCC2)nc(=O)n(-c2ccccc2)c1C
InChIInChI=1S/C17H19N3O3/c1-12-15(13(2)21)16(19-8-10-23-11-9-19)18-17(22)20(12)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyHDYZKPNNWQFFEO-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.58
Rot. Bonds3

About 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one

5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one (PubChem CID 839888) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one
PubChem CID839888
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one
SMILESCC(=O)c1c(N2CCOCC2)nc(=O)n(-c2ccccc2)c1C
InChIInChI=1S/C17H19N3O3/c1-12-15(13(2)21)16(19-8-10-23-11-9-19)18-17(22)20(12)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyHDYZKPNNWQFFEO-UHFFFAOYSA-N
XLogP1.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one?
The IUPAC name of 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one (CID 839888) is 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one is CC(=O)c1c(N2CCOCC2)nc(=O)n(-c2ccccc2)c1C.
What is the InChIKey of 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one?
The InChIKey is HDYZKPNNWQFFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-15(13(2)21)16(19-8-10-23-11-9-19)18-17(22)20(12)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one?
5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one has a molecular weight of 313.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one is sourced from PubChem (CID 839888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).