5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione

C19H27FN2O2 — CID 118270959

IUPAC5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione
SMILESCC(C)=CCCC(C)=CCCC(C)=CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C19H27FN2O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(20)18(23)21-19(22)24/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,21,23,24)
InChIKeyMZHMIONMCDPGOF-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.09
Rot. Bonds8

About 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione

5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione (PubChem CID 118270959) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione
PubChem CID118270959
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione
SMILESCC(C)=CCCC(C)=CCCC(C)=CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C19H27FN2O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(20)18(23)21-19(22)24/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,21,23,24)
InChIKeyMZHMIONMCDPGOF-UHFFFAOYSA-N
XLogP4.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione (CID 118270959) is 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione is CC(C)=CCCC(C)=CCCC(C)=CCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione?
The InChIKey is MZHMIONMCDPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(20)18(23)21-19(22)24/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,21,23,24).
What are the key properties of 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione?
5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione has a molecular weight of 334.44 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3,7,11-trimethyldodeca-2,6,10-trienyl)pyrimidine-2,4-dione is sourced from PubChem (CID 118270959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).