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

C10H15F3N2O2 — CID 142067519

IUPACethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC.Cc1c(C(F)(F)F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H9F3N2O2.C2H6/c1-4-5(8(9,10)11)12(2)7(15)13(3)6(4)14;1-2/h1-3H3;1-2H3
InChIKeySQIDGCVYRLCKGZ-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.44
Rot. Bonds

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

ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 142067519) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID142067519
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Nameethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC.Cc1c(C(F)(F)F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H9F3N2O2.C2H6/c1-4-5(8(9,10)11)12(2)7(15)13(3)6(4)14;1-2/h1-3H3;1-2H3
InChIKeySQIDGCVYRLCKGZ-UHFFFAOYSA-N
XLogP1.44
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 142067519) is ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CC.Cc1c(C(F)(F)F)n(C)c(=O)n(C)c1=O.
What is the InChIKey of ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is SQIDGCVYRLCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2.C2H6/c1-4-5(8(9,10)11)12(2)7(15)13(3)6(4)14;1-2/h1-3H3;1-2H3.
What are the key properties of ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 252.24 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 142067519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).