CAS 16075-42-6|4-(trifluoromethyl)pyrimidin-2-amine|4-(trifluoromethyl)pyrimidin-2-amine|4-(Trifluoromethyl)-2-pyrimidinamine|4-(Trifluoromethyl)pyrimidin-2-amine|2-Amino-4-(trifluoromethyl)pyrimidi...

General Information

Structure

Molecular Formula

C₅H₄F₃N₃

Molecular Mass

163.1005696

Exact Mass

163.0357318

Charge

InChI

InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)

InChIKey

NKOTXYPTXKUCDL-UHFFFAOYSA-N

Canonic Smiles

Nc1nccc(n1)C(F)(F)F

Isomeric Smiles

c1nc(nc(c1)C(F)(F)F)N

Calculated Properties

JChem

Acid pKa

16.150661

H Acceptors

H Donor

LogD (pH = 5.5)

1.162074

LogD (pH = 7.4)

1.1632789

Log P

1.1632943

Molar Refractivity

32.9704

Polarizability

11.16373

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(trifluoromethyl)pyrimidin-2-amine

IUPAC name

4-(trifluoromethyl)pyrimidin-2-amine

Synonyms

4-(Trifluoromethyl)-2-pyrimidinamine4-(Trifluoromethyl)pyrimidin-2-amine2-Amino-4-(trifluoromethyl)pyrimidine 97%4-(trifluoromethyl)pyrimidin-2-amine2-Amino-4-(trifluoromethyl)pyrimidine2-Amino-4-(trifluoromethyl)pyrimidine4-Trifluoromethyl-2-pyrimidinamine2-氨基-4-三氟甲基嘧啶2-氨基-4-(三氟甲基)嘧啶

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties