5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C12H9F3N2O2 — CID 136692528

IUPAC5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccccc2C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-19-10-9(16-6-17-11(10)18)7-4-2-3-5-8(7)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyZXJKUZRKVJKQEV-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.46
Rot. Bonds2

About 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 136692528) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID136692528
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCOc1c(-c2ccccc2C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C12H9F3N2O2/c1-19-10-9(16-6-17-11(10)18)7-4-2-3-5-8(7)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyZXJKUZRKVJKQEV-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-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 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 136692528) is 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is COc1c(-c2ccccc2C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is ZXJKUZRKVJKQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-19-10-9(16-6-17-11(10)18)7-4-2-3-5-8(7)12(13,14)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 270.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136692528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).