4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H10ClF4N3 — CID 114563418

IUPAC4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccc(Cl)cc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10ClF4N3/c1-2-19-12-20-10(6-11(21-12)13(16,17)18)8-4-3-7(14)5-9(8)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyLJSHOZFQXTUHAP-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563418) has the molecular formula C13H10ClF4N3 and a molecular weight of 319.69 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563418
Molecular FormulaC13H10ClF4N3
Molecular Weight319.69 g/mol
Exact Mass319.05
IUPAC Name4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccc(Cl)cc2F)cc(C(F)(F)F)n1
InChIInChI=1S/C13H10ClF4N3/c1-2-19-12-20-10(6-11(21-12)13(16,17)18)8-4-3-7(14)5-9(8)15/h3-6H,2H2,1H3,(H,19,20,21)
InChIKeyLJSHOZFQXTUHAP-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
4-(2,5-dichlorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563203
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563476
4-(2,6-difluoro-3-methylphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563489
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431
6-(2,5-dichlorophenyl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769215
N-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methylpyrimidin-2-amine
CID 107290514
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563418) is 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(-c2ccc(Cl)cc2F)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LJSHOZFQXTUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3/c1-2-19-12-20-10(6-11(21-12)13(16,17)18)8-4-3-7(14)5-9(8)15/h3-6H,2H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 319.69 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).