5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione

C13H13FN2O3 — CID 112598483

IUPAC5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(O)c(-c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O3/c1-2-7-16-12(18)10(11(17)15-13(16)19)8-5-3-4-6-9(8)14/h3-6,18H,2,7H2,1H3,(H,15,17,19)
InChIKeyKWDNXLJUUGUUGW-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.46
Rot. Bonds3

About 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione

5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione (PubChem CID 112598483) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
PubChem CID112598483
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(O)c(-c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O3/c1-2-7-16-12(18)10(11(17)15-13(16)19)8-5-3-4-6-9(8)14/h3-6,18H,2,7H2,1H3,(H,15,17,19)
InChIKeyKWDNXLJUUGUUGW-UHFFFAOYSA-N
XLogP1.46
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598423
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168
6-(2-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 68751690
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-1-(2-methylbutan-2-yl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115945847
5-(2-fluorophenyl)-4-hydroxy-2-pentan-3-yl-1H-pyrimidin-6-one
CID 79438766
5-(2-fluorophenyl)-4-hydroxy-2-(propylsulfanylmethyl)-1H-pyrimidin-6-one
CID 79438848

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione (CID 112598483) is 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione is CCCn1c(O)c(-c2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione?
The InChIKey is KWDNXLJUUGUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-7-16-12(18)10(11(17)15-13(16)19)8-5-3-4-6-9(8)14/h3-6,18H,2,7H2,1H3,(H,15,17,19).
What are the key properties of 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione?
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione has a molecular weight of 264.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 112598483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).