5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione

C14H14N2O4 — CID 80642770

IUPAC5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(C)=O)c2=O)cc1C
InChIInChI=1S/C14H14N2O4/c1-8-6-10(4-5-12(8)20-3)16-13(18)11(9(2)17)7-15-14(16)19/h4-7H,1-3H3,(H,15,19)
InChIKeyNBEIILWJIUNVIK-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.05
Rot. Bonds3

About 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 80642770) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID80642770
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(C)=O)c2=O)cc1C
InChIInChI=1S/C14H14N2O4/c1-8-6-10(4-5-12(8)20-3)16-13(18)11(9(2)17)7-15-14(16)19/h4-7H,1-3H3,(H,15,19)
InChIKeyNBEIILWJIUNVIK-UHFFFAOYSA-N
XLogP1.05
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione (CID 80642770) is 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(-n2c(=O)[nH]cc(C(C)=O)c2=O)cc1C.
What is the InChIKey of 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is NBEIILWJIUNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-6-10(4-5-12(8)20-3)16-13(18)11(9(2)17)7-15-14(16)19/h4-7H,1-3H3,(H,15,19).
What are the key properties of 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-methoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).