4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one

C12H8F3IN2O — CID 154488059

IUPAC4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one
SMILESCn1c(C(F)(F)F)cc(-c2ccc(I)cc2)nc1=O
InChIInChI=1S/C12H8F3IN2O/c1-18-10(12(13,14)15)6-9(17-11(18)19)7-2-4-8(16)5-3-7/h2-6H,1H3
InChIKeyINFKTSGKYXABCQ-UHFFFAOYSA-N
MW380.11 g/mol
LogP3.07
Rot. Bonds1

About 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one

4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one (PubChem CID 154488059) has the molecular formula C12H8F3IN2O and a molecular weight of 380.11 g/mol. Its IUPAC name is 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one
PubChem CID154488059
Molecular FormulaC12H8F3IN2O
Molecular Weight380.11 g/mol
Exact Mass379.96
IUPAC Name4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one
SMILESCn1c(C(F)(F)F)cc(-c2ccc(I)cc2)nc1=O
InChIInChI=1S/C12H8F3IN2O/c1-18-10(12(13,14)15)6-9(17-11(18)19)7-2-4-8(16)5-3-7/h2-6H,1H3
InChIKeyINFKTSGKYXABCQ-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)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

4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 125492218
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]aniline
CID 89018490
1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one
CID 22929324
3-iodo-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 166486551
5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 974686
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046509
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
5-(4-chlorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 895690
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
propan-2-yl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56689857

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one (CID 154488059) is 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one is Cn1c(C(F)(F)F)cc(-c2ccc(I)cc2)nc1=O.
What is the InChIKey of 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is INFKTSGKYXABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3IN2O/c1-18-10(12(13,14)15)6-9(17-11(18)19)7-2-4-8(16)5-3-7/h2-6H,1H3.
What are the key properties of 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one?
4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 380.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 154488059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).