2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C11H7ClF3N3 — CID 66521037

IUPAC2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc(Cl)n1
InChIInChI=1S/C11H7ClF3N3/c12-10-17-8(5-9(16)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17,18)
InChIKeyRQLKYVJTCUTUIH-UHFFFAOYSA-N
MW273.65 g/mol
LogP3.40
Rot. Bonds1

About 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 66521037) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID66521037
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc(Cl)n1
InChIInChI=1S/C11H7ClF3N3/c12-10-17-8(5-9(16)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17,18)
InChIKeyRQLKYVJTCUTUIH-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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Related Compounds

6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 90835999
4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677423
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
2-chloro-4-cyclopropyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468630
7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608000
6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 66521037) is 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Nc1cc(-c2ccc(C(F)(F)F)cc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is RQLKYVJTCUTUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-10-17-8(5-9(16)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17,18).
What are the key properties of 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-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 2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 66521037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).