CAS 1513-69-5|2-amino-6-(trifluoromethyl)pyrimidin-4-ol|2-Amino-4-hydroxy-6-(trifluoromethyl)-pyrimidine|2-amino-6-(trifluoromethyl)pyrimidin-4-ol|2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine 97%...

General Information

Structure

Molecular Formula

C₅H₄F₃N₃O

Molecular Mass

179.0999696

Exact Mass

179.03064642

Charge

InChI

InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)

InChIKey

ZEPSVMLZBXDPGU-UHFFFAOYSA-N

Canonic Smiles

Oc1nc(N)nc(c1)C(F)(F)F

Isomeric Smiles

FC(F)(F)c1cc(O)nc(n1)N

Calculated Properties

JChem

Acid pKa

11.823104

H Acceptors

H Donor

LogD (pH = 5.5)

1.4541827

LogD (pH = 7.4)

1.4541703

Log P

1.4541866

Molar Refractivity

35.2648

Polarizability

11.911152

Polar Surface Area

72.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Amino-4-hydroxy-6-(trifluoromethyl)-pyrimidine2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine 97%2-氨基-4-羟基-6-(三氟甲基)嘧啶2-Amino-4-hydroxy-6-trifluoromethylpyrimidine2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine2-amino-6-trifluoromethyl-pyrimidin-4-ol

IUPAC name

2-amino-6-(trifluoromethyl)pyrimidin-4-ol

IUPAC Traditional name

2-amino-6-(trifluoromethyl)pyrimidin-4-ol

Names and Identifiers

Registration numbers

CAS Number

1513-69-5

EC Number

000-000-0

MDL Number

MFCD00068093