chempirical

4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate

C4H7N3O2SCAS 65802-56-4161.18 g/mol

Open in Covalent MOL file
NHSHNONH2H2O
Primary amine

Properties

Molecular formula
C4H7N3O2S
Molar mass
161.18 g/mol
Exact mass
161.0259 Da
logP
-0.81Crippen estimate
Polar surface area
106.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65802-56-4
SMILES
C1=C(NC(=S)NC1=O)N.O
InChIKey
BWYGMIYEADAIGW-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2

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

Work with 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate

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

6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one175205-07-941 % similar 6-Amino-2-hydroxypyridine5154-00-735 % similar 4,6-Diaminopyrimidin-2(1H)-one31458-45-432 % similar 6-Amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione21236-97-530 % similar

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

Elsewhere

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