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

C14H15FN2O4 — CID 115946312

IUPAC5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
SMILESCOCC(C)n1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O4/c1-8(7-21-2)17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)6-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20)
InChIKeyBQFXZTSCEKZQOK-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.26
Rot. Bonds4

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

5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione (PubChem CID 115946312) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
PubChem CID115946312
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
SMILESCOCC(C)n1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O4/c1-8(7-21-2)17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)6-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20)
InChIKeyBQFXZTSCEKZQOK-UHFFFAOYSA-N
XLogP1.26
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione (CID 115946312) is 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione is COCC(C)n1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
The InChIKey is BQFXZTSCEKZQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-8(7-21-2)17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)6-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20).
What are the key properties of 5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione?
5-(3-fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione has a molecular weight of 294.28 g/mol, XLogP of 1.26, 4 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-(1-methoxypropan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).