2-Amino-6-chloropurine

HCID 5360349CAS 10310-21-1
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(Cl)c2[nH]cnc2n1
InChIKey
RYYIULNRIVUMTQ-UHFFFAOYSA-N
Molecular formula
C5H4ClN5
Average molar mass
169.57 g/mol
Monoisotopic mass
169.01552281

Overview

6-chloroguanine is an organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. It is a member of 2-aminopurines and an organochlorine compound.

Names & identifiers

Preferred name
2-Amino-6-chloropurine
IUPAC
6-chloro-7H-purin-2-amine
English name
6-Chloroguanine
Molecular formula
C5H4ClN5
Molecular weight
169.57

Names & synonyms

2-Amino-6-chloropurine10310-21-16-Chloroguanine6-chloro-7H-purin-2-amine6-Chloro-2-aminopurine2-Amino-6-chlorpurinePurine, 2-amino-6-chloro-1H-Purin-2-amine, 6-chloro-6-CHLORO-1H-PURIN-2-AMINENSC-2957083V03P835EDTXSID9074432
Show more names
9H-PURIN-2-AMINE, 6-CHLORO-2-AMINO-6-CHLOROPURINE (2A6ClP)AURORA KA-689TIMTEC-BB SBB0038632-Amino-6-chloropuri
CHEBI:72345RefChem:464749DTXCID0032786233-686-76-Chloro-9H-purin-2-amine2-Amino-6-Chloro-Purin2-amino-6-chloro-9h-purine6-Chloro-7H-purin-2-ylamine

Database identifiers

CAS
10310-21-1、133762-81-9
PubChem CID
5360349
DTXSID
DTXSID9074432
ChEMBL
CHEMBL226396
ChEBI
CHEBI:72345
UNII
83V03P835E
EC Number
233-686-7
Nikkaji
J236.697E

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
80.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
300 °C · >300 °C (lit.)
Boiling point
279.76 °C · 279.76°C (rough estimate)
Density
1.4937 · 1.4937 (rough estimate)
refractive index
1.611 · 1.6110 (estimate)
storage temp.
2 · 2-8°C
solubility
1 mol/L · Solubility in 1mol/L NaOH

Safety & regulation

GHS classification

GHS Classification · 2 items

Not Classified

Aggregated GHS information provided per 42 reports by companies from 6 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information1H-Purin-2-amine, 6-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified

Safety data

F
10
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
UO7502000
hs_code
29339900
risk_code
20/21/22-36/37/38

Chemistry & industry

Applications · 5 items

Description6-Chloroguanine, also be known as 2-Amino-6-chloropurine may be used in the enzymatic synthesis of 2′-deoxyguanosine, 9-alkyl purines (R)and (S)-N(2-phosphonomethoxypropyl) derivatives of purine and pyrimidine bases. It is also useful during the synthesis of guanine.

Description2-Amino-6-chloropurine is a precursor in the synthesis of nucleoside analogs with antiviral activity against Epstein-Barr virus (EBV) and human herpes virus 6 (HHV-6).

Uses2-Amino-6-chloropurine finds its uses in the enzymatic synthesis of 2-deoxyguanosine, 9-alkyl purines and (R)- and (S)-N-(2-phosphonomethoxypropyl) derivatives of purine and pyrimidine bases.

Uses2-Amino-6-chloropurine may be used:in the enzymatic synthesis of 2′-deoxyguanosinein the synthesis of 9-alkyl purinesin the synthesis of (R)- and (S)-N-(2-phosphonomethoxypropyl) derivatives of purine and pyrimidine bases

General Description2-Amino-6-chloropurine is a 6-substituted purine. Tautomeric purine forms of 2-amino-6-chloropurine were investigated by vibrational spectroscopy and quantum chemical method.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: 6-chloroguanine is an organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. It is a member of 2-aminopurines and an organochlorine compound.

Related reactions

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