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

C9H7F3N4O4 — CID 90122568

IUPAC1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)(F)F)c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H3F3N2O2.C4H4N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11;7-3-1-2-5-4(8)6-3/h1H,(H2,9,10,11,12);1-2H,(H2,5,6,7,8)
InChIKeyWQCISLMRXYIRNX-UHFFFAOYSA-N
MW292.17 g/mol
LogP-0.85
Rot. Bonds

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

1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 90122568) has the molecular formula C9H7F3N4O4 and a molecular weight of 292.17 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID90122568
Molecular FormulaC9H7F3N4O4
Molecular Weight292.17 g/mol
Exact Mass292.04
IUPAC Name1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(F)(F)F)c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H3F3N2O2.C4H4N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11;7-3-1-2-5-4(8)6-3/h1H,(H2,9,10,11,12);1-2H,(H2,5,6,7,8)
InChIKeyWQCISLMRXYIRNX-UHFFFAOYSA-N
XLogP-0.85
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 90122568) is 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WQCISLMRXYIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2.C4H4N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11;7-3-1-2-5-4(8)6-3/h1H,(H2,9,10,11,12);1-2H,(H2,5,6,7,8).
What are the key properties of 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 292.17 g/mol, XLogP of -0.85, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-2,4-dione;5-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90122568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).