N-(2-((2-(2-Pyrimidinylamino)ethyl)dithio)ethyl)-2-pyrimidinamine

HCID 288588

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Basic information

CAS: 24007-03-2
Standard SMILES: c1cnc(NCCSSCCNc2ncccn2)nc1
InChIKey: ZJQGOAGUNSKNGT-UHFFFAOYSA-N
Molecular formula: C12H16N6S2
Average molar mass: 308.4 g/mol
Monoisotopic mass: 308.08778688

Names & identifiers

Preferred name: N-(2-((2-(2-Pyrimidinylamino)ethyl)dithio)ethyl)-2-pyrimidinamine
IUPAC: N-[2-[2-(pyrimidin-2-ylamino)ethyldisulfanyl]ethyl]pyrimidin-2-amine

Names & synonyms

24007-03-2MSA5LD0P5LN-(2-((2-(2-Pyrimidinylamino)ethyl)dithio)ethyl)-2-pyrimidinamineUNII-MSA5LD0P5LNSC1498562-(2-Pyrimidinylamino)ethyl disulfideNSC 149856MLS003106301NSC-149856DTXSID90178742N-[2-[2-(pyrimidin-2-ylamino)ethyldisulfanyl]ethyl]pyrimidin-2-amineSMR001821210

Show more names

PYRIMIDINE, 2,2'-(DITHIOBIS(ETHYLENEIMINO))DI-2-PYRIMIDINAMINE, N,N'-(DITHIODI-2,1-ETHANEDIYL)BIS-N,N'-[Disulfanediyldi(ethane-2,1-diyl)]di(pyrimidin-2-amine)N-(2-Pyrimidinyl)-N-(2-((2-(2-pyrimidinylamino)ethyl)dithio)ethyl)amine

Database identifiers

CAS: 24007-03-2
PubChem CID: 288588
DTXSID: DTXSID90178742
UNII: MSA5LD0P5L

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 126 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 20
Formal charge: 0
Complexity: 210

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