3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C8H9F3N2O2 — CID 11206812

IUPAC3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4(2)13-6(14)3-5(8(9,10)11)12-7(13)15/h3-4H,1-2H3,(H,12,15)
InChIKeyWVEHVYMBQZFKMJ-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.14
Rot. Bonds1

About 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 11206812) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID11206812
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H9F3N2O2/c1-4(2)13-6(14)3-5(8(9,10)11)12-7(13)15/h3-4H,1-2H3,(H,12,15)
InChIKeyWVEHVYMBQZFKMJ-UHFFFAOYSA-N
XLogP1.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 11206812) is 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WVEHVYMBQZFKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4(2)13-6(14)3-5(8(9,10)11)12-7(13)15/h3-4H,1-2H3,(H,12,15).
What are the key properties of 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 222.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11206812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).