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

C12H8BrF3N2O — CID 154488047

IUPAC6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCn1c(-c2ccc(Br)cc2)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C12H8BrF3N2O/c1-18-9(7-2-4-8(13)5-3-7)6-10(12(14,15)16)17-11(18)19/h2-6H,1H3
InChIKeyNVXCNXRJIAPJPH-UHFFFAOYSA-N
MW333.11 g/mol
LogP3.23
Rot. Bonds1

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

6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 154488047) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID154488047
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCn1c(-c2ccc(Br)cc2)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C12H8BrF3N2O/c1-18-9(7-2-4-8(13)5-3-7)6-10(12(14,15)16)17-11(18)19/h2-6H,1H3
InChIKeyNVXCNXRJIAPJPH-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)vinyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone
CID 5742370
4-[2-(4-bromophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 2992729
1-Methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488042
1,4-Dimethyl-6-phenylpyrimidin-2(1H)-one
CID 12596967
1-Methyl-6-(4-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 154488043
6-(4-Fluorophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488045
6-(4-Iodophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488048
1-Ethyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488050
1-Ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 154488051
4-(4-Bromophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one
CID 154488058
3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-2H-quinazoline
CID 152664390
3-[(4-bromophenyl)methyl]-7-(trifluoromethyl)-2H-quinazoline
CID 153967903

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one (CID 154488047) is 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one is Cn1c(-c2ccc(Br)cc2)cc(C(F)(F)F)nc1=O.
What is the InChIKey of 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is NVXCNXRJIAPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c1-18-9(7-2-4-8(13)5-3-7)6-10(12(14,15)16)17-11(18)19/h2-6H,1H3.
What are the key properties of 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 333.11 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1-methyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 154488047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).