2,4-Diamino-6,7-diisopropylpteridine Phosphate

C₁₂H₂₁N₆O₄PCAS 84176-65-8344.31 g/mol

Open in Covalent MOL file

Phosphate Primary amine

Properties

Molecular formula: C₁₂H₂₁N₆O₄P
Molar mass: 344.31 g/mol
Exact mass: 344.1362 Da
logP: 0.73Crippen estimate
Polar surface area: 182.1 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

84176-65-8

SMILES

CC(C)c1nc2nc(=N)[nH]c(N)c2nc1C(C)C.O=P(O)(O)O

InChIKey

YNQBQYASRYRNRY-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)

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Names and synonyms

4 names

2,4-Pteridinediamine, 6,7-bis(1-methylethyl)-, phosphate (1:1)
Pteridine, 2,4-diamino-6,7-diisopropyl-, phosphate
NSC 98771
6,7-Diisopropylpteridine-2,4-diamine phosphate

Work with 2,4-Diamino-6,7-diisopropylpteridine Phosphate

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-hydroxymethylpteridine945-24-439 % similar 2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride73978-41-337 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-733 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-632 % similar Melamine phosphate20208-95-132 % similar 2,5,6-Triamino-4-pyrimidinol sulfate35011-47-330 % similar 2,5,6-Triamino-4-pyrimidinol sulfate39267-74-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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