chempirical

1,6-Dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-2-pyrimidinamine

C9H15N5O4SCAS 83701-22-8289.31 g/mol

Open in Covalent MOL file
NHNNHHNNOSOOHO
Tertiary amine

Properties

Molecular formula
C9H15N5O4S
Molar mass
289.31 g/mol
Exact mass
289.0845 Da
logP
-1.00Crippen estimate
Polar surface area
135.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3

Identifiers

CAS number
83701-22-8
SMILES
N=c1cc(N2CCCCC2)[nH]c(=N)n1OS(=O)(=O)O
InChIKey
KVOZMWUBYWDGEX-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,10H,1-5H2,(H2,11,12)(H,15,16,17)

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Names and synonyms

2 names
  • 2-Pyrimidinamine, 1,6-dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-
  • Minoxidil sulfate

Work with 1,6-Dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-2-pyrimidinamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Minoxidil38304-91-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook