5-Amino-6-(methylamino)pyrimidine-4-thiol

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Basic information

CAS: 52602-72-9
Standard SMILES: CNc1[nH]cnc(=S)c1N
InChIKey: CSRKVKSYIGUWJE-UHFFFAOYSA-N
Molecular formula: C5H8N4S
Average molar mass: 156.21 g/mol
Monoisotopic mass: 156.04696745

Names & identifiers

Preferred name: 5-Amino-6-(methylamino)pyrimidine-4-thiol
IUPAC: 5-amino-6-(methylamino)-1H-pyrimidine-4-thione

Names & synonyms

52602-72-95-amino-6-(methylamino)pyrimidine-4-thiolDTXSID30354003RefChem:301040DTXCID403050665-Amino-6-(methylamino)pyrimidine-4(1H)-thioneChemDiv3_000608SCHEMBL27739308HMS1474L14STK368593AKOS001484914NCGC00172694-01

Show more names

5-amino-6-methylamino-4-thioxo-pyrimidine4-methylamino-5-amino-6-mercaptopyrimidine5-amino-6-(methylamino)-4-pyrimidinethiolST50881255AH-034/11964252SR-01000401946SR-01000401946-1BRD-K04991559-001-01-4

Database identifiers

CAS: 52602-72-9
PubChem CID: 761453
DTXSID: DTXSID30354003

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 94.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 218

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Compound notes

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