5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione

C14H15FN2O4 — CID 115946665

IUPAC5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
SMILESCOCCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O4/c1-21-7-3-6-17-13(19)11(12(18)16-14(17)20)9-4-2-5-10(15)8-9/h2,4-5,8,19H,3,6-7H2,1H3,(H,16,18,20)
InChIKeyJXNOTIPMHUSYPX-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.08
Rot. Bonds5

About 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione

5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione (PubChem CID 115946665) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
PubChem CID115946665
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
SMILESCOCCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O4/c1-21-7-3-6-17-13(19)11(12(18)16-14(17)20)9-4-2-5-10(15)8-9/h2,4-5,8,19H,3,6-7H2,1H3,(H,16,18,20)
InChIKeyJXNOTIPMHUSYPX-UHFFFAOYSA-N
XLogP1.08
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 112599485
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
5-[(5R)-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 135601508
5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
CID 102702118
7-fluoro-3-(3-methoxypropyl)-1H-benzimidazol-2-one
CID 117206096

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione (CID 115946665) is 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione is COCCCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione?
The InChIKey is JXNOTIPMHUSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-21-7-3-6-17-13(19)11(12(18)16-14(17)20)9-4-2-5-10(15)8-9/h2,4-5,8,19H,3,6-7H2,1H3,(H,16,18,20).
What are the key properties of 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione?
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione has a molecular weight of 294.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).