1-(trifluoromethyl)pyrimidin-4-one

C5H3F3N2O — CID 142545405

IUPAC1-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1ccn(C(F)(F)F)cn1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)10-2-1-4(11)9-3-10/h1-3H
InChIKeyRGJJSULXRJQNJQ-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.72
Rot. Bonds

About 1-(trifluoromethyl)pyrimidin-4-one

1-(trifluoromethyl)pyrimidin-4-one (PubChem CID 142545405) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrimidin-4-one
PubChem CID142545405
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name1-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1ccn(C(F)(F)F)cn1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)10-2-1-4(11)9-3-10/h1-3H
InChIKeyRGJJSULXRJQNJQ-UHFFFAOYSA-N
XLogP0.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(trifluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 1-(trifluoromethyl)pyrimidin-4-one (CID 142545405) is 1-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 1-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 1-(trifluoromethyl)pyrimidin-4-one is O=c1ccn(C(F)(F)F)cn1.
What is the InChIKey of 1-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is RGJJSULXRJQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)10-2-1-4(11)9-3-10/h1-3H.
What are the key properties of 1-(trifluoromethyl)pyrimidin-4-one?
1-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 164.09 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 142545405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).