3-((2,6-Diamino-4-pyrimidinyl)amino)-6-methoxy-2(1H)-pyridinethione
Basic information
- CAS
42362-27-6- Standard SMILES
COc1ccc(Nc2cc(N)nc(N)n2)c(=S)[nH]1- InChIKey
VKBYTEPGLCNQQT-UHFFFAOYSA-N- Molecular formula
- C10H12N6OS
- Average molar mass
- 264.31 g/mol
- Monoisotopic mass
- 264.0793302
Names & identifiers
- Preferred name
- 3-((2,6-Diamino-4-pyrimidinyl)amino)-6-methoxy-2(1H)-pyridinethione
- IUPAC
- 3-[(2,6-diaminopyrimidin-4-yl)amino]-6-methoxy-1H-pyridine-2-thione
Names & synonyms
ZP0RGP9M3I42362-27-62(1H)-Pyridinethione, 3-((2,6-diamino-4-pyrimidinyl)amino)-6-methoxy-NSC 194994BRN 0820322UNII-ZP0RGP9M3INSC-1949943-((2,6-Diamino-4-pyrimidinyl)amino)-6-methoxy-2(1H)-pyridinethioneDTXSID901951715-25-12-00318 (Beilstein Handbook Reference)2(1H)-Pyridinethione, 3-[(2,6-diamino-4-pyrimidinyl)amino]-6-methoxy-RefChem:198151
Show more names
DTXCID00117662NSC1949943-[(2,6-diaminopyrimidin-4-yl)amino]-6-methoxy-1H-pyridine-2-thione3-[(2,6-Diaminopyrimidin-4-yl)amino]-6-methoxypyridine-2(1H)-thione
Database identifiers
- CAS
42362-27-6- PubChem CID
- 3000871
- DTXSID
DTXSID90195171- UNII
- ZP0RGP9M3I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
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Related reactions
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Compound notes
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