6-methoxy-1-phenacylpyrimidine-2,4-dione

C13H12N2O4 — CID 657452

IUPAC6-methoxy-1-phenacylpyrimidine-2,4-dione
SMILESCOc1cc(=O)[nH]c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4/c1-19-12-7-11(17)14-13(18)15(12)8-10(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17,18)
InChIKeyMYSZPUHFPPPRMM-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.43
Rot. Bonds4

About 6-methoxy-1-phenacylpyrimidine-2,4-dione

6-methoxy-1-phenacylpyrimidine-2,4-dione (PubChem CID 657452) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-methoxy-1-phenacylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-phenacylpyrimidine-2,4-dione
PubChem CID657452
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-methoxy-1-phenacylpyrimidine-2,4-dione
SMILESCOc1cc(=O)[nH]c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O4/c1-19-12-7-11(17)14-13(18)15(12)8-10(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17,18)
InChIKeyMYSZPUHFPPPRMM-UHFFFAOYSA-N
XLogP0.43
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenacylpyrimidine-2,4-dione?
The IUPAC name of 6-methoxy-1-phenacylpyrimidine-2,4-dione (CID 657452) is 6-methoxy-1-phenacylpyrimidine-2,4-dione.
What is the SMILES notation for 6-methoxy-1-phenacylpyrimidine-2,4-dione?
The canonical SMILES for 6-methoxy-1-phenacylpyrimidine-2,4-dione is COc1cc(=O)[nH]c(=O)n1CC(=O)c1ccccc1.
What is the InChIKey of 6-methoxy-1-phenacylpyrimidine-2,4-dione?
The InChIKey is MYSZPUHFPPPRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-12-7-11(17)14-13(18)15(12)8-10(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17,18).
What are the key properties of 6-methoxy-1-phenacylpyrimidine-2,4-dione?
6-methoxy-1-phenacylpyrimidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenacylpyrimidine-2,4-dione is sourced from PubChem (CID 657452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).