2-tert-Butyl-4-cyclobutyl-6-{4-[3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propyl]-piperazin-1-yl}-pyrimidine hydrochloride

HCID 69026953
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Basic information

Standard SMILES
Cc1nnc(SCCCN2CCN(c3cc(C4CCC4)nc(C(C)(C)C)n3)CC2)s1.Cl
InChIKey
BBCDDAAPITVQSI-UHFFFAOYSA-N
Molecular formula
C22H35ClN6S2
Average molar mass
483.1 g/mol

Names & identifiers

Preferred name
2-tert-Butyl-4-cyclobutyl-6-{4-[3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propyl]-piperazin-1-yl}-pyrimidine hydrochloride
IUPAC
2-[3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propylsulfanyl]-5-methyl-1,3,4-thiadiazole;hydrochloride

Names & synonyms

SCHEMBL4393047BBCDDAAPITVQSI-UHFFFAOYSA-N2-tert-Butyl-4-cyclobutyl-6-{4-[3-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propyl]-piperazin-1-yl}-pyrimidine hydrochloride

Database identifiers

PubChem CID
69026953

Properties

Computed structural properties

Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
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Compound notes

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