4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

C11H6ClF3N2 — CID 614101

IUPAC4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C11H6ClF3N2/c12-9-6-8(11(13,14)15)16-10(17-9)7-4-2-1-3-5-7/h1-6H
InChIKeyCWZUWJRMFIDBRA-UHFFFAOYSA-N
MW258.63 g/mol
LogP3.82
Rot. Bonds1

About 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 614101) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID614101
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C11H6ClF3N2/c12-9-6-8(11(13,14)15)16-10(17-9)7-4-2-1-3-5-7/h1-6H
InChIKeyCWZUWJRMFIDBRA-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimethamine
CID 4993
Fenclorim
CID 77338
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
4-Chloro-2-(trichloromethyl)quinazoline
CID 618704
HSP90 Inhibitor, 5
CID 17748247
4-Propyl-6-m-tolylpyrimidine-2-carbonitrile
CID 46881451
4-Phenyl-6-propylpyrimidine-2-carbonitrile
CID 46882093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 614101) is 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CWZUWJRMFIDBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c12-9-6-8(11(13,14)15)16-10(17-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 258.63 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 614101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).