5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione

C14H14N2O3 — CID 802308

IUPAC5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C(=O)c2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H14N2O3/c1-9-11(12(17)10-7-5-4-6-8-10)13(18)16(3)14(19)15(9)2/h4-8H,1-3H3
InChIKeyYWUIFHYPUIILNG-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.62
Rot. Bonds2

About 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione

5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 802308) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID802308
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C(=O)c2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H14N2O3/c1-9-11(12(17)10-7-5-4-6-8-10)13(18)16(3)14(19)15(9)2/h4-8H,1-3H3
InChIKeyYWUIFHYPUIILNG-UHFFFAOYSA-N
XLogP0.62
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione (CID 802308) is 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione is Cc1c(C(=O)c2ccccc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is YWUIFHYPUIILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-11(12(17)10-7-5-4-6-8-10)13(18)16(3)14(19)15(9)2/h4-8H,1-3H3.
What are the key properties of 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione?
5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 802308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).