4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine

C12H8BrF3N2 — CID 91926144

IUPAC4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8BrF3N2/c1-7-17-10(6-11(18-7)12(14,15)16)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyMVIIWIFIHKOFKE-UHFFFAOYSA-N
MW317.11 g/mol
LogP4.23
Rot. Bonds1

About 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine

4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 91926144) has the molecular formula C12H8BrF3N2 and a molecular weight of 317.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID91926144
Molecular FormulaC12H8BrF3N2
Molecular Weight317.11 g/mol
Exact Mass315.98
IUPAC Name4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H8BrF3N2/c1-7-17-10(6-11(18-7)12(14,15)16)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyMVIIWIFIHKOFKE-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine (CID 91926144) is 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine is Cc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is MVIIWIFIHKOFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2/c1-7-17-10(6-11(18-7)12(14,15)16)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine?
4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 317.11 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91926144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).