2,4-Diamino-6-piperidinopyrimidine

C₉H₁₅N₅CAS 24867-26-3193.25 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₉H₁₅N₅
Molar mass: 193.25 g/mol
Exact mass: 193.1327 Da
logP: 0.63Crippen estimate
Polar surface area: 81.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H351 Suspected of causing cancer66.7% of notifiers
H361f Suspected of damaging fertility66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, P501

Identifiers

CAS number

24867-26-3

SMILES

C1CCN(CC1)C2=NC(=NC(=C2)N)N

InChIKey

IPFIEHIRBSTAKA-UHFFFAOYSA-N

InChI

InChI=1S/C9H15N5/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H4,10,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,4-Diamino-6-piperidinopyrimidine

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

2,4-Diamino-6-fluoropyrimidine696-83-342 % similar 2,6-Diamino-4-methoxy pyrimidine3270-97-139 % similar 6-(4-Fluorophenyl)pyrimidine-2,4-diamine175137-25-435 % similar 4-(Piperidin-1-yl)aniline2359-60-634 % similar 2-(Piperidin-1-yl)aniline39643-31-732 % similar 2,6-Dichloro-4,8-di(piperidin-1-yl)pyrimido(5,4-d)pyrimidine7139-02-832 % similar 2-Amino-4,6-dibromopyrimidine856973-26-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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