1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C13H11FN2O3 — CID 112598423

IUPAC1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC2)c(O)c1-c1ccccc1F
InChIInChI=1S/C13H11FN2O3/c14-9-4-2-1-3-8(9)10-11(17)15-13(19)16(12(10)18)7-5-6-7/h1-4,7,18H,5-6H2,(H,15,17,19)
InChIKeyYZXRNCRELAAHFJ-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.38
Rot. Bonds2

About 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598423) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID112598423
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CC2)c(O)c1-c1ccccc1F
InChIInChI=1S/C13H11FN2O3/c14-9-4-2-1-3-8(9)10-11(17)15-13(19)16(12(10)18)7-5-6-7/h1-4,7,18H,5-6H2,(H,15,17,19)
InChIKeyYZXRNCRELAAHFJ-UHFFFAOYSA-N
XLogP1.38
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222291
6-(2-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 68751690
2-cyclopentyl-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439270
3-cyclohexyl-4-hydroxy-5-phenyl-1H-imidazol-2-one
CID 91286309
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359
2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438693
3-(2-fluorophenyl)-4-hydroxy-6-(2-methylpropyl)-1H-pyridin-2-one
CID 90231853
7-(2-fluorophenyl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one
CID 59769210

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 112598423) is 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CC2)c(O)c1-c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is YZXRNCRELAAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-9-4-2-1-3-8(9)10-11(17)15-13(19)16(12(10)18)7-5-6-7/h1-4,7,18H,5-6H2,(H,15,17,19).
What are the key properties of 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).