5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione

C12H10N2O3 — CID 53222291

IUPAC5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H10N2O3/c1-7(15)8-2-4-9(5-3-8)10-6-13-12(17)14-11(10)16/h2-6H,1H3,(H2,13,14,16,17)
InChIKeyCMELDGSTDPTEGK-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.93
Rot. Bonds2

About 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione

5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 53222291) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID53222291
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H10N2O3/c1-7(15)8-2-4-9(5-3-8)10-6-13-12(17)14-11(10)16/h2-6H,1H3,(H2,13,14,16,17)
InChIKeyCMELDGSTDPTEGK-UHFFFAOYSA-N
XLogP0.93
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione (CID 53222291) is 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione is CC(=O)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CMELDGSTDPTEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7(15)8-2-4-9(5-3-8)10-6-13-12(17)14-11(10)16/h2-6H,1H3,(H2,13,14,16,17).
What are the key properties of 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione?
5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53222291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).