4,5-Diamino-2,6-dimercaptopyrimidine

C₄H₆N₄S₂CAS 31295-41-7174.24 g/mol

Open in Covalent MOL file

Primary amine Thiol

Properties

Molecular formula: C₄H₆N₄S₂
Molar mass: 174.24 g/mol
Exact mass: 174.0034 Da
logP: 0.22Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 0

Identifiers

CAS number

31295-41-7

SMILES

Nc1nc(S)nc(S)c1N

InChIKey

IQGYCVKWCYGVBK-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4S2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2,4(1H,3H)-Pyrimidinedithione, 5,6-diamino-
Uracil, 5,6-diamino-2,4-dithio-
5,6-Diamino-2,4(1H,3H)-pyrimidinedithione
NSC 45757
2,4-Dimercapto-5,6-diamino-pyrimidine

Work with 4,5-Diamino-2,6-dimercaptopyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,5-Diamino-6-hydroxy-2-mercaptopyrimidine1004-76-857 % similar Trithiocyanuric acid638-16-436 % similar 3,9-Dihydro-1H-purine-2,6-dithione5437-25-231 % similar 5,6-Diaminouracil3240-72-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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