CAS 82703-38-6 4-chloro-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidine (HCID 13041144)

基本情報

CAS: 82703-38-6
標準SMILES: Cc1[nH]c2ncnc(Cl)c2c1C
InChIKey: NVVPXBSOUBMECG-UHFFFAOYSA-N
分子式: C8H8ClN3
平均分子量: 181.62 g/mol

名称と識別子

優先名称: 4-chloro-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidine
IUPAC: 4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
現地名: 4-クロロ-5,6-ジメチル-7H-ピロロ[2,3-d]ピリミジン
英語名: 4-Chloro-5,6-diMethyl-7H-pyrrolo[2,3-d]pyriMidine
分子式: C8H8ClN3
分子量: 181.62

名称と別名

4-Chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine82703-38-64-chloro-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidineRefChem:521416820-330-6MFCD13189407CHEMBL315190SCHEMBL1895093NVVPXBSOUBMECG-UHFFFAOYSA-NHDA70338AB68354AS-79894

名称をさらに表示

4-クロロ-5,6-ジメチル-7H-ピロロ[2,3-d]ピリミジン7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-4-Chloro-5,6-Dimethyl-7H-Pyrrolo[2,3-D]Pyrimidine(WX636271)

SY125674DB-332181CS-0035930EN300-260296W10456F5054484-chioro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]-pyrimidine

データベース識別子

CAS: 82703-38-6
PubChem CID: 13041144
ChEMBL: CHEMBL315190
EC Number: 820-330-6
Nikkaji: J1.381.171G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 176

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.