5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one

C19H16N2O2 — CID 100988388

IUPAC5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one
SMILESCCn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C19H16N2O2/c1-2-21-13-16(18(22)15-11-7-4-8-12-15)17(20-19(21)23)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyNMBCCPKRQUABBT-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.16
Rot. Bonds4

About 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one

5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one (PubChem CID 100988388) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one.

Molecular Properties

Compound Name5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one
PubChem CID100988388
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one
SMILESCCn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C19H16N2O2/c1-2-21-13-16(18(22)15-11-7-4-8-12-15)17(20-19(21)23)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyNMBCCPKRQUABBT-UHFFFAOYSA-N
XLogP3.16
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one?
The IUPAC name of 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one (CID 100988388) is 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one.
What is the SMILES notation for 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one?
The canonical SMILES for 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one is CCn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O.
What is the InChIKey of 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one?
The InChIKey is NMBCCPKRQUABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-21-13-16(18(22)15-11-7-4-8-12-15)17(20-19(21)23)14-9-5-3-6-10-14/h3-13H,2H2,1H3.
What are the key properties of 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one?
5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-ethyl-4-phenylpyrimidin-2-one is sourced from PubChem (CID 100988388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).