6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

C8H9F3N2O3 — CID 122239170

IUPAC6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCOCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O3/c1-16-3-5-2-6(14)13(7(15)12-5)4-8(9,10)11/h2H,3-4H2,1H3,(H,12,15)
InChIKeyWTIIFXHPOGMJFE-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.25
Rot. Bonds3

About 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione

6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122239170) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID122239170
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
SMILESCOCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H9F3N2O3/c1-16-3-5-2-6(14)13(7(15)12-5)4-8(9,10)11/h2H,3-4H2,1H3,(H,12,15)
InChIKeyWTIIFXHPOGMJFE-UHFFFAOYSA-N
XLogP0.25
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione (CID 122239170) is 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is COCc1cc(=O)n(CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WTIIFXHPOGMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-16-3-5-2-6(14)13(7(15)12-5)4-8(9,10)11/h2H,3-4H2,1H3,(H,12,15).
What are the key properties of 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione?
6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).