CAS 5392-28-9|CAS 1004-74-6|Pyrimidine-2,4,5,6-tetraamine sulfate|pyrimidine-2,4,5,6-tetramine; sulfuric acid|pyrimidine-2,4,5,6-tetramine; sulfuric acid|2,4,5,6-TETRAAMINOPYRIMIDINE SULFATE|2,4,5,6...

General Information

Structure

Molecular Formula

C₄H₁₀N₆O₄S

Molecular Mass

238.225

Exact Mass

238.04842383

Charge

InChI

InChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)

InChIKey

MQEFDQWUCTUJCP-UHFFFAOYSA-N

Canonic Smiles

OS(=O)(=O)O.Nc1nc(N)c(c(n1)N)N

Isomeric Smiles

c1(nc(c(c(n1)N)N)N)N.S(=O)(=O)(O)O

Calculated Properties

JChem

Acid pKa

19.84219

H Acceptors

H Donor

LogD (pH = 5.5)

-3.085905

LogD (pH = 7.4)

-1.7416084

Log P

-1.3982673

Molar Refractivity

42.0969

Polarizability

13.167956

Polar Surface Area

129.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Pyrimidine-2,4,5,6-tetraamine sulfate2,4,5,6-TETRAAMINOPYRIMIDINE SULFATE2,4,5,6-TETRAAMINOPYRIMIDINE SULFATE SALT2,4,5,6-四氨基嘧啶硫酸盐2,4,5,6-Tetraaminopyrimidine sulfate salt2,4,5,6-Pyrimidinetetramine SulfateNSC 3277NSC 2278622,4,5,6-四氨基嘧啶硫酸盐2,4,5,6-Tetraaminopyrimidine sulfate

IUPAC Traditional name

pyrimidine-2,4,5,6-tetramine; sulfuric acid

IUPAC name

pyrimidine-2,4,5,6-tetramine; sulfuric acid

Names and Identifiers

Registration numbers

PubChem SID

24900170162035613

MDL Number

MFCD00012786

EC Number

226-393-0213-724-9