CAS 6622-92-0|2,6-dimethylpyrimidin-4-ol|6-Hydroxy-2,4-dimethylpyrimidine|2,4-Dimethyl-6-pyrimidinol|2,4-Dimethyl-6-hydroxypyrimidine|2,4-Dimethyl-6-hydroxypyrimidine|2,6-dimethylpyrimidin-4-ol|2,4-...

General Information

Structure

Molecular Formula

C₆H₈N₂O

Molecular Mass

124.14052

Exact Mass

124.06366289

Charge

InChI

InChI=1S/C6H8N2O/c1-4-3-6(9)8-5(2)7-4/h3H,1-2H3,(H,7,8,9)

InChIKey

UQFHLJKWYIJISA-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(O)nc(n1)C

Isomeric Smiles

n1c(nc(cc1O)C)C

Calculated Properties

JChem

Acid pKa

12.755362

H Acceptors

H Donor

LogD (pH = 5.5)

1.1022912

LogD (pH = 7.4)

1.1023722

Log P

1.1023751

Molar Refractivity

34.2326

Polarizability

12.687841

Polar Surface Area

46.01

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2,6-dimethylpyrimidin-4-ol

Synonyms

6-Hydroxy-2,4-dimethylpyrimidine2,4-Dimethyl-6-pyrimidinol2,4-Dimethyl-6-hydroxypyrimidine2,4-Dimethyl-6-hydroxypyrimidine2,4-二甲基-6-羟基嘧啶4-Hydroxy-2,6-dimethylpyrimidine2,6-Dimethylpyrimidin-4-ol2,6-Dimethyl-4-pyrimidinol2,6-二甲基-4-嘧啶醇

IUPAC Traditional name

2,6-dimethylpyrimidin-4-ol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID