4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)

HCID 74142CAS 1603-02-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc(N)c(N)c(OS(=O)(=O)O)n1
InChIKey
DJUGBKWOBAOTFA-UHFFFAOYSA-N
Molecular formula
C4H7N5O4S
Average molar mass
221.2 g/mol
Monoisotopic mass
221.0218747

Names & identifiers

Preferred name
4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)
IUPAC
(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate
English name
2,5,6-Triaminopyrimidin-4-ol sulphate
Molecular formula
C4H7N5O4S
Molecular weight
221.19

Names & synonyms

2,5,6-Triaminopyrimidin-4-ol sulphate4-Pyrimidinol, 2,5,6-triamino-, monosulfateEINECS 216-500-94-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)RefChem:526680216-500-91603-02-72,5,6-triaminopyrimidin-4-yl hydrogen sulfate(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate6-Hydroxy 2,4,5-Triaminopyrimidine SulfateMFCD01457351(2,5,6-TRIAMINOPYRIMIDIN-4-YL)OXIDANESULFONIC ACID
Show more names
6-Hydroxy-2,4,5-triaminopyrimidine sulfate2,4,5-Triamino-6-hydroxpyrimidine2,4,5- TRIAMINO -6- HYDROXY PYRIMID2,5,6-triamino-4-pyrimidinomonosulfate2,4,6-Triamino-5-hydropyrimidinesulfate4-Pyrimidinol, 2,5,6-triamino, monosulfate.2,4,5-three amino-6-hydroxy pyridine sulfate6-HYDROXY-2,4,5-TRIAMINOPYRIMIDINE SULFATE 97%
C4H7N5O4S4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (7CI); 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester) (8CI,9CI)2,5,6-Triamino-4-pyrimidinyl Hydrogen SulfateT3YK834X4USCHEMBL19467887DTXSID20862708DJUGBKWOBAOTFA-UHFFFAOYSA-N97% (contains <10%ammonium salt)

Database identifiers

CAS
1603-02-7
PubChem CID
74142
DTXSID
DTXSID20862708
UNII
T3YK834X4U
EC Number
216-500-9
Nikkaji
J35.421J

Properties

Computed structural properties

XLogP
-1.8
Topological polar surface area
176 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
300 °C · >300°C
Density
2.033 · 2.033
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
Aqueous Base (Sparingly)
pka
4.24 · 4.24±0.10(Predicted)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 12 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 4-Pyrimidinol, 2,5,6-triamino-, 4-(hydrogen sulfate)

4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

rtecs
UW7175000
Toxicity
mouse,LDLo,parenteral,800mg/kg (800mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 694, 1955.
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses6-Hydroxy 2,4,5-Triaminopyrimidine Sulfate (cas# 1603-02-7) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers50 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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