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

C₉H₁₅N₅O₄SCAS 83701-22-8289.31 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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