4-Amino-5-iodopyrrolo[2,3-d]pyrimidine - CAS 163622-50-2

Name: 4-Amino-5-iodopyrrolo[2,3-d]pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB046757
Product Name:	4-Amino-5-iodopyrrolo[2,3-d]pyrimidine
CAS:	163622-50-2
Synonyms:	7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-iodo-; 5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine; 4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidine; 5-Iodo-1H-pyrrolo[2,3-d]pyrimidin-4-amine

Technical Data

IUPAC Name:	5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Description:	4-Amino-5-iodopyrrolo[2,3-d]pyrimidine (CAS# 163622-50-2 ) is a useful research chemical.
Molecular Weight:	260.04
Molecular Formula:	C6H5IN4
Canonical SMILES:	C1=C(C2=C(N=CN=C2N1)N)I
InChI:	InChI=1S/C6H5IN4/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H3,8,9,10,11)
InChI Key:	KLKWCKQHBCUTCL-UHFFFAOYSA-N
Boiling Point:	254.0±50.0 °C (Predicted)
Purity:	97 %
Density:	2.58±0.1 g/cm³ (Predicted)

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.95589
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	259.95589
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1