5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride

C5H4ClF3N2O — CID 175748169

IUPAC5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncc(C(F)(F)F)c[nH]1
InChIInChI=1S/C5H3F3N2O.ClH/c6-5(7,8)3-1-9-4(11)10-2-3;/h1-2H,(H,9,10,11);1H
InChIKeySLMOANPUKBKZKL-UHFFFAOYSA-N
MW200.55 g/mol
LogP1.21
Rot. Bonds

About 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride

5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride (PubChem CID 175748169) has the molecular formula C5H4ClF3N2O and a molecular weight of 200.55 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride
PubChem CID175748169
Molecular FormulaC5H4ClF3N2O
Molecular Weight200.55 g/mol
Exact Mass200.00
IUPAC Name5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncc(C(F)(F)F)c[nH]1
InChIInChI=1S/C5H3F3N2O.ClH/c6-5(7,8)3-1-9-4(11)10-2-3;/h1-2H,(H,9,10,11);1H
InChIKeySLMOANPUKBKZKL-UHFFFAOYSA-N
XLogP1.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.55
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
CID 142106869
lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
CID 175395479
3-ethyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 134232979
6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 138036943
5-(4-fluorophenoxy)-1H-pyrimidin-2-one
CID 12661833
6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 46856436
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
5-(aminomethoxy)-1H-pyrimidin-2-one
CID 117231127
5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021883
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
CID 115038673

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride (CID 175748169) is 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride is Cl.O=c1ncc(C(F)(F)F)c[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is SLMOANPUKBKZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O.ClH/c6-5(7,8)3-1-9-4(11)10-2-3;/h1-2H,(H,9,10,11);1H.
What are the key properties of 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride?
5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 200.55 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 175748169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).