CAS 874-14-6|1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione|1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione|1,3-dimethyluracil|1,3-Dimethyluracil|2,4-Dihydroxy-1,3-dimethylpyrimidine|1,3-Di...

基本信息

化学结构

分子式

C₆H₈N₂O₂

分子量

140.13992

精确质量

140.05857751

电荷

InChI

InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

InChIKey

JSDBKAHWADVXFU-UHFFFAOYSA-N

Canonic Smiles

Cn1ccc(=O)n(c1=O)C

Isomeric Smiles

n1(c(=O)n(c(=O)cc1)C)C

计算属性

JChem

LogD (pH = 7.4)

-0.41

LogD (pH = 5.5)

-0.41

Log P

-0.41

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

-4.91

极化表面积

40.62

极化性

13.45

摩尔折射率

35.76

LOG S

0.15

数据来源

名称和标识

IUPAC标准名

1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC传统名

1,3-dimethyluracil

别名

1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1,3-Dimethyluracil1,3-二甲基脲嘧啶1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione1,3-Dimethyluracil2,4-Dihydroxy-1,3-dimethylpyrimidine1,3-二甲基-2,4-嘧啶二酮1,3-二甲基-2,4(1H,3H)-嘧啶二酮1,3-dimethylpyrimidine-2,4(1H,3H)-dioneN,N'-DimethyluracilN1,N3-Dimethyluracil2,4-Dihydroxy-1,3-dimethylpyrimidine1,3-dimethyluracil

名称和标识

数据登录号

EC号

CAS号

MDL号

PubChem CID

PubChem SID

16203536824861711164174793