5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C13H11FN2O4 — CID 911496

IUPAC5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)c2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C13H11FN2O4/c1-15-11(18)9(12(19)16(2)13(15)20)10(17)7-5-3-4-6-8(7)14/h3-6,18H,1-2H3
InChIKeyQSWYHTCHYDPAHA-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.16
Rot. Bonds2

About 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 911496) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID911496
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(C(=O)c2ccccc2F)c(=O)n(C)c1=O
InChIInChI=1S/C13H11FN2O4/c1-15-11(18)9(12(19)16(2)13(15)20)10(17)7-5-3-4-6-8(7)14/h3-6,18H,1-2H3
InChIKeyQSWYHTCHYDPAHA-UHFFFAOYSA-N
XLogP0.16
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chlorophenyl)(hydroxy)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 657843
6-hydroxy-1,3-dimethyl-5-(phenylcarbonyl)pyrimidine-2,4(1H,3H)-dione
CID 910752
5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione
CID 802308
N-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-2-fluorobenzamide
CID 2148458
6-Amino-5-(2,4-difluorobenzoyl)-1,3-dimethylpyrimidine-2,4-dione
CID 2374101
5-benzoyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2785824
1,3-Diacetyl-4-(4-fluorobenzoyl)-5-methylimidazol-2-one
CID 15567557
5-Benzoyl-6-amino-1,3-dimethyluracil
CID 322349
Cambridge id 7240253
CID 2148460
1-Acetyl-3-benzoyl-5-fluoropyrimidine-2,4-dione
CID 12690833
3-Benzoyl-5-fluoro-1-propanoylpyrimidine-2,4-dione
CID 12690835
5-(4-Fluorophenyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 71344342

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 911496) is 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(C(=O)c2ccccc2F)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QSWYHTCHYDPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-15-11(18)9(12(19)16(2)13(15)20)10(17)7-5-3-4-6-8(7)14/h3-6,18H,1-2H3.
What are the key properties of 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 278.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 911496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).