4-Chloro-5-methoxy-6-(methoxymethyl)pyrimidine

HCID 15279350

基本信息

标准SMILES: COCc1ncnc(Cl)c1OC
InChIKey: ADSZAWWZUSXFJO-UHFFFAOYSA-N
分子式: C7H9ClN2O2
平均分子量: 188.61 g/mol

名称与标识

首选名称: 4-Chloro-5-methoxy-6-(methoxymethyl)pyrimidine
IUPAC: 4-chloro-5-methoxy-6-(methoxymethyl)pyrimidine

名称与别名

4-chloro-5-methoxy-6-(methoxymethyl)pyrimidine13420-48-9SCHEMBL7199405ADSZAWWZUSXFJO-UHFFFAOYSA-NMFCD351206674-chloro-5-methoxy-6-methoxymethylpyrimidineH61201Pyrimidine, 4-chloro-5-methoxy-6-(methoxymethyl)-

数据库标识

PubChem CID: 15279350

性质

结构计算性质

XLogP: 0.8
极性表面积: 44.2 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 137

相关反应

11 条

新建反应记录

HRID 98748作为生成物Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 162936作为反应物Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 234637作为反应物uspto-grants-1997_01

HRID 342508作为反应物uspto-grants-1999_01

HRID 695376作为反应物Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 697866作为反应物Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1224707作为反应物Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1378400作为生成物uspto-grants-1997_09

关联笔记

加载中…