5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione

C11H15FN2O2 — CID 598584

IUPAC5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1cc(F)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C11H15FN2O2/c1-4-5-13-7-9(12)10(15)14(11(13)16)6-8(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyPGADQKYSXNYBGG-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.99
Rot. Bonds4

About 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione

5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 598584) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID598584
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1cc(F)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C11H15FN2O2/c1-4-5-13-7-9(12)10(15)14(11(13)16)6-8(2)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyPGADQKYSXNYBGG-UHFFFAOYSA-N
XLogP0.99
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
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-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione (CID 598584) is 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1cc(F)c(=O)n(CC(C)C)c1=O.
What is the InChIKey of 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is PGADQKYSXNYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-4-5-13-7-9(12)10(15)14(11(13)16)6-8(2)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione?
5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 226.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methylpropyl)-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 598584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).