CAS 5348-51-6|4-Methylpyrimidin-2-ol hydrochloride|4-methylpyrimidin-2-ol hydrochloride|4-methylpyrimidin-2-ol hydrochloride|2-Hydroxy-4-methylpyrimidine hydrochloride|4-Methylpyrimidin-2(1H)-one hy...

General Information

Structure

Molecular Formula

C₅H₇ClN₂O

Molecular Mass

146.57488

Exact Mass

146.02469053

Charge

InChI

InChI=1S/C5H6N2O.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H

InChIKey

FDRYQDWXFZBBAD-UHFFFAOYSA-N

Canonic Smiles

Cc1ccnc(n1)O.Cl

Isomeric Smiles

n1c(nc(cc1)C)O.Cl

Calculated Properties

JChem

Acid pKa

13.685642

H Acceptors

H Donor

LogD (pH = 5.5)

0.556325

LogD (pH = 7.4)

0.5563261

Log P

0.5563263

Molar Refractivity

29.2407

Polarizability

10.935776

Polar Surface Area

46.01

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Methylpyrimidin-2-ol hydrochloride2-Hydroxy-4-methylpyrimidine hydrochloride4-Methylpyrimidin-2(1H)-one hydrochloride4-Methylpyrimidin-2-ol hydrochloride4-Methylpyrimidinol hydrochloride2-Hydroxy-4-methylpyrimidine hydrochloride2-Hydroxy-4-methylpyrimidine, Hydrochloride4-Methyl-2-pyrimidinol hydrochloride4-甲基-2-嘧啶醇盐酸盐4-Methyl-2(1H)-pyrimidinone Hydrochloride4-Methyl-2-pyrimidinol Monohydrochloride2-羟基-4-甲基嘧啶盐酸盐

IUPAC name

4-methylpyrimidin-2-ol hydrochloride

IUPAC Traditional name

4-methylpyrimidin-2-ol hydrochloride

Names and Identifiers

Registration numbers

PubChem SID

16205902224895636

PubChem CID

2723648

MDL Number

MFCD00012782MFCD00151347