3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione

C20H16N2O3 — CID 11995490

IUPAC3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
SMILESCc1cn(/C=C/c2ccccc2)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C20H16N2O3/c1-15-14-21(13-12-16-8-4-2-5-9-16)20(25)22(18(15)23)19(24)17-10-6-3-7-11-17/h2-14H,1H3/b13-12+
InChIKeyUXFHQWUVBAYJIQ-OUKQBFOZSA-N
MW332.36 g/mol
LogP2.63
Rot. Bonds3

About 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione

3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione (PubChem CID 11995490) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
PubChem CID11995490
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
SMILESCc1cn(/C=C/c2ccccc2)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C20H16N2O3/c1-15-14-21(13-12-16-8-4-2-5-9-16)20(25)22(18(15)23)19(24)17-10-6-3-7-11-17/h2-14H,1H3/b13-12+
InChIKeyUXFHQWUVBAYJIQ-OUKQBFOZSA-N
XLogP2.63
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione (CID 11995490) is 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione is Cc1cn(/C=C/c2ccccc2)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione?
The InChIKey is UXFHQWUVBAYJIQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-15-14-21(13-12-16-8-4-2-5-9-16)20(25)22(18(15)23)19(24)17-10-6-3-7-11-17/h2-14H,1H3/b13-12+.
What are the key properties of 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione?
3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-methyl-1-[(E)-2-phenylethenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11995490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).