6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione

C10H13FN2O2 — CID 167618381

IUPAC6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione
SMILESC=Cn1c(C(C)(C)C)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O2/c1-5-13-7(10(2,3)4)6(11)8(14)12-9(13)15/h5H,1H2,2-4H3,(H,12,14,15)
InChIKeyWJOQOSYHBVHCQU-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.07
Rot. Bonds1

About 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione

6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione (PubChem CID 167618381) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione
PubChem CID167618381
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione
SMILESC=Cn1c(C(C)(C)C)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O2/c1-5-13-7(10(2,3)4)6(11)8(14)12-9(13)15/h5H,1H2,2-4H3,(H,12,14,15)
InChIKeyWJOQOSYHBVHCQU-UHFFFAOYSA-N
XLogP1.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione (CID 167618381) is 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione is C=Cn1c(C(C)(C)C)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is WJOQOSYHBVHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-5-13-7(10(2,3)4)6(11)8(14)12-9(13)15/h5H,1H2,2-4H3,(H,12,14,15).
What are the key properties of 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione?
6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 212.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethenyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 167618381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).