CAS 15400-53-0|ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate|2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER|ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate|ETHYL 2-AMINO-4-HYDROXYPYRIMI...

基本信息

化学结构

分子式

C₇H₉N₃O₃

分子量

183.16466

精确质量

183.06439116

电荷

InChI

InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)

InChIKey

HRRHGLKNOJHIGY-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1cnc(nc1O)N

Isomeric Smiles

CCOC(=O)c1cnc(N)nc1O

计算属性

JChem

LogD (pH = 7.4)

1.20

LogD (pH = 5.5)

1.20

Log P

1.20

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

10.50

极化表面积

98.33

极化性

17.33

摩尔折射率

46.44

LOG S

-1.45

数据来源

名称和标识

别名

2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTERETHYL 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLATE2-Amino-4-hydroxypyrimidine-5-carboxylic acid ethyl esterEthyl 2-amino-4-hydroxypyrimidine-5-carboxylate2-Amino-5-carboethoxy-4-hydroxypyrimidine2-氨基-4-羟基嘧啶-5-甲酸乙酯ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTERethyl 2-amino-1,4-dihydro-4-oxopyrimidine-5-carboxylate2-amino-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester

IUPAC传统名

ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate

IUPAC标准名

ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate

名称和标识

数据登录号

PubChem CID

84894

PubChem SID

16096799299443377125258691

CAS号

15400-53-0