1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C8H9F3N2O2 — CID 142067520

IUPAC1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1c(C(F)(F)F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4-5(8(9,10)11)12(2)7(15)13(3)6(4)14/h1-3H3
InChIKeyYOZPXYVDHZTMPX-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.41
Rot. Bonds

About 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione

1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 142067520) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID142067520
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1c(C(F)(F)F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4-5(8(9,10)11)12(2)7(15)13(3)6(4)14/h1-3H3
InChIKeyYOZPXYVDHZTMPX-UHFFFAOYSA-N
XLogP0.41
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 142067520) is 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1c(C(F)(F)F)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is YOZPXYVDHZTMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4-5(8(9,10)11)12(2)7(15)13(3)6(4)14/h1-3H3.
What are the key properties of 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 222.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 142067520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).