5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione

C5H2F3N3O3 — CID 119097089

IUPAC5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
SMILESO=NC1C(=O)N=C(C(F)(F)F)NC1=O
InChIInChI=1S/C5H2F3N3O3/c6-5(7,8)4-9-2(12)1(11-14)3(13)10-4/h1H,(H,9,10,12,13)
InChIKeyFLYBRUCEXVGXPS-UHFFFAOYSA-N
MW209.08 g/mol
LogP-0.26
Rot. Bonds1

About 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione

5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione (PubChem CID 119097089) has the molecular formula C5H2F3N3O3 and a molecular weight of 209.08 g/mol. Its IUPAC name is 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
PubChem CID119097089
Molecular FormulaC5H2F3N3O3
Molecular Weight209.08 g/mol
Exact Mass209.00
IUPAC Name5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione
SMILESO=NC1C(=O)N=C(C(F)(F)F)NC1=O
InChIInChI=1S/C5H2F3N3O3/c6-5(7,8)4-9-2(12)1(11-14)3(13)10-4/h1H,(H,9,10,12,13)
InChIKeyFLYBRUCEXVGXPS-UHFFFAOYSA-N
XLogP-0.26
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione (CID 119097089) is 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione is O=NC1C(=O)N=C(C(F)(F)F)NC1=O.
What is the InChIKey of 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is FLYBRUCEXVGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N3O3/c6-5(7,8)4-9-2(12)1(11-14)3(13)10-4/h1H,(H,9,10,12,13).
What are the key properties of 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione?
5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 209.08 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-2-(trifluoromethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 119097089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).