4,6-diphenyl-1-propylpyrimidin-2-one

C19H18N2O — CID 848854

IUPAC4,6-diphenyl-1-propylpyrimidin-2-one
SMILESCCCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H18N2O/c1-2-13-21-18(16-11-7-4-8-12-16)14-17(20-19(21)22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKeyGJHYBWSQPJJAAT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.99
Rot. Bonds4

About 4,6-diphenyl-1-propylpyrimidin-2-one

4,6-diphenyl-1-propylpyrimidin-2-one (PubChem CID 848854) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4,6-diphenyl-1-propylpyrimidin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-1-propylpyrimidin-2-one
PubChem CID848854
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name4,6-diphenyl-1-propylpyrimidin-2-one
SMILESCCCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O
InChIInChI=1S/C19H18N2O/c1-2-13-21-18(16-11-7-4-8-12-16)14-17(20-19(21)22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKeyGJHYBWSQPJJAAT-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1-propylpyrimidin-2-one?
The IUPAC name of 4,6-diphenyl-1-propylpyrimidin-2-one (CID 848854) is 4,6-diphenyl-1-propylpyrimidin-2-one.
What is the SMILES notation for 4,6-diphenyl-1-propylpyrimidin-2-one?
The canonical SMILES for 4,6-diphenyl-1-propylpyrimidin-2-one is CCCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O.
What is the InChIKey of 4,6-diphenyl-1-propylpyrimidin-2-one?
The InChIKey is GJHYBWSQPJJAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-13-21-18(16-11-7-4-8-12-16)14-17(20-19(21)22)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3.
What are the key properties of 4,6-diphenyl-1-propylpyrimidin-2-one?
4,6-diphenyl-1-propylpyrimidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1-propylpyrimidin-2-one is sourced from PubChem (CID 848854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).