CAS 42965-55-9|CAS 32014-70-3|5,6-Diaminopyrimidine-2,4-(1H,3H)-dione sulphate|@5,6-diaminouracil; sulfuric acid|5,6-Diaminouracil sulphate|5,6-diamino-1,2,3,4-tetrahydropyrimidine-2,4-dione; sulfur...

General Information

Structure

Molecular Formula

C₄H₈N₄O₆S

Molecular Mass

240.19452

Exact Mass

240.016455

Charge

InChI

InChI=1S/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)

InChIKey

IKARJSDZQCSEJX-UHFFFAOYSA-N

Canonic Smiles

OS(=O)(=O)O.Nc1[nH]c(=O)[nH]c(=O)c1N

Isomeric Smiles

[nH]1c(=O)[nH]c(=O)c(c1N)N.S(=O)(=O)(O)O

Calculated Properties

JChem

Acid pKa

9.420796

H Acceptors

H Donor

LogD (pH = 5.5)

-2.2410038

LogD (pH = 7.4)

-2.2445748

Log P

-2.2404957

Molar Refractivity

42.5302

Polarizability

12.013431

Polar Surface Area

110.24

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

5,6-Diaminopyrimidine-2,4-(1H,3H)-dione sulphate5,6-Diaminouracil sulphate5,6-Diamino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine sulphate4,5-Diamino-2,6-dihydroxypyrimidine sulphate4,5-Diamino-2,6-dihydroxypyrimidine sulfate4,5-二氨基-2,6-二羟基嘧啶硫酸盐5,6-Diamino-2,4-dihydroxypyrimidine hemisulfate salt5,6-Diaminouracil sulfate salt5,6-二氨基-2,4-二羟基嘧啶半硫酸盐5,6-氨基-2,4(1H,3H)-嘧啶二酮硫酸盐5,6-Diamino-2,4-dihydroxypyrimidine sulfate5,6-Diaminouracil Sulfate4,5-Diaminouracil SulfateNSC 2642895,6-二氨基脲嘧啶硫酸盐5,6-二氨基-2,4-二羟基嘧啶硫酸盐5,6-Diaminouracil sulfate5,6-Diamino-2,4(1H,3H)-pyrimidinedione SulfateNSC 3102NSC 42280

IUPAC Traditional name

@5,6-diaminouracil; sulfuric acid 5,6-diaminouracil; sulfuric acid

IUPAC name

5,6-diamino-1,2,3,4-tetrahydropyrimidine-2,4-dione; sulfuric acid

Names and Identifiers

Registration numbers

CAS Number

42965-55-932014-70-3

MDL Number

MFCD00135845

EC Number

250-899-0