5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

C14H15FN2O4 — CID 10447145

IUPAC5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1F
InChIInChI=1S/C14H15FN2O4/c15-12-4-2-1-3-10(12)7-11-8-17(9-21-6-5-18)14(20)16-13(11)19/h1-4,8,18H,5-7,9H2,(H,16,19,20)
InChIKeyAITXWLIGNARBHU-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.23
Rot. Bonds6

About 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10447145) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
PubChem CID10447145
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1F
InChIInChI=1S/C14H15FN2O4/c15-12-4-2-1-3-10(12)7-11-8-17(9-21-6-5-18)14(20)16-13(11)19/h1-4,8,18H,5-7,9H2,(H,16,19,20)
InChIKeyAITXWLIGNARBHU-UHFFFAOYSA-N
XLogP0.23
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.23
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

1-(2-hydroxyethoxymethyl)-5-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrimidine-2,4-dione
CID 54297114
1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione;2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl benzoate
CID 158075626
5-fluoro-1-(2-phenylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 171988633
5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione
CID 14515753
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 13076168
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 509571
5-ethyl-1-(2-hydroxyethoxymethyl)-6-naphthalen-1-ylpyrimidine-2,4-dione
CID 11823997
2-[1-(anilinomethyl)-2,4-dioxopyrimidin-5-yl]acetic acid
CID 69228891
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
CID 3010090
6-hydroxy-1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 5287741

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione (CID 10447145) is 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is AITXWLIGNARBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-12-4-2-1-3-10(12)7-11-8-17(9-21-6-5-18)14(20)16-13(11)19/h1-4,8,18H,5-7,9H2,(H,16,19,20).
What are the key properties of 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione?
5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 294.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10447145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).