5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione

C12H10N2O3 — CID 44722439

IUPAC5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C12H10N2O3/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyLKJQEENVVXTMSB-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.73
Rot. Bonds2

About 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione

5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 44722439) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione
PubChem CID44722439
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C12H10N2O3/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyLKJQEENVVXTMSB-UHFFFAOYSA-N
XLogP0.73
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246
3-methyl-6-(methylamino)-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 3549761
6-amino-1,3-dimethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2457625
5-acetyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 3619026
6-(methylanilino)-2,4(1H,3H)-pyrimidinedione
CID 309819
Cambridge id 5356508
CID 761462
2,4(1H,3H)-Pyrimidinedione, 3-methyl-6-(methylphenylamino)-
CID 181503
Trimethylammonium 5-acetyl-3-(4-ethylphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
CID 16682010
6-Anilino-1,3-dimethylpyrimidine-2,4-dione
CID 726711
6-Amino-3-methyl-1-phenylpyrimidine-2,4(1H,3H)-dione
CID 1649256
1-((6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)carbonyl)-4-phenyl-piperazine
CID 100271

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione (CID 44722439) is 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is LKJQEENVVXTMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17).
What are the key properties of 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione?
5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 44722439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).