Guanidine, 1-tert-pentyl-3-(3-pyridyl)-2-pyrimidyl-, dihydrochloride

HCID 48883

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Basic information

CAS: 67026-84-0
Standard SMILES: CCC(C)(C)[NH+]=C(Nc1ccc[nH+]c1)Nc1ncccn1.[Cl-].[Cl-]
InChIKey: ALGSCLXQQRMRFJ-UHFFFAOYSA-N
Molecular formula: C15H22Cl2N6
Average molar mass: 357.3 g/mol
Monoisotopic mass: 356.1283001

Names & identifiers

Preferred name: Guanidine, 1-tert-pentyl-3-(3-pyridyl)-2-pyrimidyl-, dihydrochloride
IUPAC: 2-methylbutan-2-yl-[(pyridin-1-ium-3-ylamino)-(pyrimidin-2-ylamino)methylidene]azanium dichloride

Names & synonyms

1-tert-Pentyl-3-(3-pyridyl)-2-pyrimidylguanidine dihydrochloride67026-84-0GUANIDINE, 1-tert-PENTYL-3-(3-PYRIDYL)-2-PYRIMIDYL-, DIHYDROCHLORIDENSC 315863RefChem:346932

Database identifiers

CAS: 67026-84-0
PubChem CID: 48883

Properties

Computed structural properties

Topological polar surface area: 78 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 335

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