1,3-dibenzylpyrimidine-2,4-dione

C18H16N2O2 — CID 698951

IUPAC1,3-dibenzylpyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyFBMVAPDYFISJGR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.11
Rot. Bonds4

About 1,3-dibenzylpyrimidine-2,4-dione

1,3-dibenzylpyrimidine-2,4-dione (PubChem CID 698951) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,3-dibenzylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzylpyrimidine-2,4-dione
PubChem CID698951
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1,3-dibenzylpyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyFBMVAPDYFISJGR-UHFFFAOYSA-N
XLogP2.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dibenzylpyrimidine-2,4-dione (CID 698951) is 1,3-dibenzylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibenzylpyrimidine-2,4-dione is O=c1ccn(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylpyrimidine-2,4-dione?
The InChIKey is FBMVAPDYFISJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 1,3-dibenzylpyrimidine-2,4-dione?
1,3-dibenzylpyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylpyrimidine-2,4-dione is sourced from PubChem (CID 698951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).