5-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C5H3F3N2O2 — CID 5899

IUPAC5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChIKeyLMNPKIOZMGYQIU-UHFFFAOYSA-N
MW180.08 g/mol
LogP0.08
Rot. Bonds

About 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione

5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 5899) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.08 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID5899
Molecular FormulaC5H3F3N2O2
Molecular Weight180.08 g/mol
Exact Mass180.01
IUPAC Name5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
InChIKeyLMNPKIOZMGYQIU-UHFFFAOYSA-N
XLogP0.08
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 5899) is 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LMNPKIOZMGYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12).
What are the key properties of 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
5-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 180.08 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).