4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C11H7ClF3N3 — CID 2823401

IUPAC4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7ClF3N3/c12-7-3-1-6(2-4-7)8-5-9(11(13,14)15)18-10(16)17-8/h1-5H,(H2,16,17,18)
InChIKeyZMKYYTLIGYYLCJ-UHFFFAOYSA-N
MW273.65 g/mol
LogP3.40
Rot. Bonds1

About 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2823401) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2823401
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7ClF3N3/c12-7-3-1-6(2-4-7)8-5-9(11(13,14)15)18-10(16)17-8/h1-5H,(H2,16,17,18)
InChIKeyZMKYYTLIGYYLCJ-UHFFFAOYSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2823401) is 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZMKYYTLIGYYLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-7-3-1-6(2-4-7)8-5-9(11(13,14)15)18-10(16)17-8/h1-5H,(H2,16,17,18).
What are the key properties of 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 273.65 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2823401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).