5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione

C10H13FN2O3 — CID 15060444

IUPAC5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
SMILESC=CCOC(CC)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3/c1-3-5-16-8(4-2)13-6-7(11)9(14)12-10(13)15/h3,6,8H,1,4-5H2,2H3,(H,12,14,15)
InChIKeyQOJLOBVYLSOHGT-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.79
Rot. Bonds5

About 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione

5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione (PubChem CID 15060444) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
PubChem CID15060444
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
SMILESC=CCOC(CC)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3/c1-3-5-16-8(4-2)13-6-7(11)9(14)12-10(13)15/h3,6,8H,1,4-5H2,2H3,(H,12,14,15)
InChIKeyQOJLOBVYLSOHGT-UHFFFAOYSA-N
XLogP0.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione (CID 15060444) is 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione is C=CCOC(CC)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione?
The InChIKey is QOJLOBVYLSOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-3-5-16-8(4-2)13-6-7(11)9(14)12-10(13)15/h3,6,8H,1,4-5H2,2H3,(H,12,14,15).
What are the key properties of 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione?
5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione has a molecular weight of 228.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15060444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).