2-Amino-6-iodopurine

HCID 6101575CAS 19690-23-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(I)c2[nH]cnc2n1
InChIKey
CQYPNVKLVHHOSJ-UHFFFAOYSA-N
Molecular formula
C5H4IN5
Average molar mass
261.02 g/mol
Monoisotopic mass
260.95114313

Names & identifiers

Preferred name
2-Amino-6-iodopurine
IUPAC
6-iodo-7H-purin-2-amine
English name
2-Amino-6-iodopurine
Molecular formula
C5H4IN5
Molecular weight
261.02

Names & synonyms

2-Amino-6-iodopurineDTXSID20422008RefChem:464779DTXCID60372851805-581-119690-23-46-Iodo-9H-purin-2-amine6-iodo-7H-purin-2-amineMFCD03840496CHEMBL44493746-iodanyl-7~{H}-purin-2-amine2-AMINO-6-IODO-7H-PURINE
Show more names
2-Amino-6-IodoAmino iodo purine2-Amino-6-iodopurine >2-Amino-6-iodo-7H-purine2-Amino-6-iodopurine ,98%9H-Purin-2-amine, 6-iodo-2-Amino-6-iodopurine USP/EP/BP
6-Iodo-9H-purin-2-amine; NSC 45154;6-iodo-2-aminopurine2-amino-6-iodo-purine6-iodopurine-2-ylamine6-Iodo-3H-purin-2-amineSCHEMBL135689SCHEMBL135690SCHEMBL7452620

Database identifiers

CAS
19690-23-4
PubChem CID
6101575
DTXSID
DTXSID20422008
ChEMBL
CHEMBL4449374
EC Number
805-581-1
Nikkaji
J641.942I

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
240 °C · 240°C(dec.)(lit.)
Boiling point
314.3 · 314.3±52.0 °C(Predicted)
Density
2.92 · 2.92±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
solubility
Aqueous Base (Sparingly), DMSO (Slightly, Heated)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Applications

Uses2-Amino-6-iodopurine is used as a reagent in the synthesis of Lobucavir (L469360) which is an antiviral agent.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

23 records
New reaction record

Linked notes

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