4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one

C11H9F3N2O — CID 15263505

IUPAC4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(C(F)(F)F)=CC(c2ccccc2)N1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-6-8(15-10(17)16-9)7-4-2-1-3-5-7/h1-6,8H,(H2,15,16,17)
InChIKeyOHJUFDPWDCITLJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.49
Rot. Bonds1

About 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one

4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 15263505) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID15263505
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(C(F)(F)F)=CC(c2ccccc2)N1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-6-8(15-10(17)16-9)7-4-2-1-3-5-7/h1-6,8H,(H2,15,16,17)
InChIKeyOHJUFDPWDCITLJ-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one 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

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Benzylurea
CID 10853
1-Benzyl-3-cyclohexylurea
CID 544877
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-Cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea
CID 294966
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
4-Phenylimidazolidin-2-one
CID 322644

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 15263505) is 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(C(F)(F)F)=CC(c2ccccc2)N1.
What is the InChIKey of 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is OHJUFDPWDCITLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)9-6-8(15-10(17)16-9)7-4-2-1-3-5-7/h1-6,8H,(H2,15,16,17).
What are the key properties of 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one?
4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 242.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 15263505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).