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...

基本信息

化学结构

分子式

C₅H₇ClN₂O

分子量

146.57488

精确质量

146.02469053

电荷

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

计算属性

JChem

Acid pKa

13.685642

质子受体

质子供体

LogD (pH = 5.5)

0.556325

LogD (pH = 7.4)

0.5563261

Log P

0.5563263

摩尔折射率

29.2407

极化性

10.935776

极化表面积

46.01

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

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标准名

4-methylpyrimidin-2-ol hydrochloride

IUPAC传统名

4-methylpyrimidin-2-ol hydrochloride

名称和标识

数据登录号

PubChem SID

16205902224895636

PubChem CID

2723648

MDL号

MFCD00012782MFCD00151347