tert-Butyl 2,4-dichloro-7,8-dihydropyrido(4,3-d)pyrimidine-6(5H)-carboxylate

C₁₂H₁₅Cl₂N₃O₂CAS 635698-56-5304.17 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₁₂H₁₅Cl₂N₃O₂
Molar mass: 304.17 g/mol
Exact mass: 303.0541 Da
logP: 3.08Crippen estimate
Polar surface area: 55.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

635698-56-5

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NC(=N2)Cl)Cl

InChIKey

YPTQBCCFRRAECZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15Cl2N3O2/c1-12(2,3)19-11(18)17-5-4-8-7(6-17)9(13)16-10(14)15-8/h4-6H2,1-3H3

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Names and synonyms

1 names

tert-Butyl 2,4-dichloro-7,8-dihydropyrido[4,3-D]pyrimidine-6(5H)-carboxylate

Work with tert-Butyl 2,4-dichloro-7,8-dihydropyrido(4,3-d)pyrimidine-6(5H)-carboxylate

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

tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate903129-71-580 % similar tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-06-152 % similar tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-847 % similar 2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid851784-82-244 % similar 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-744 % similar tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-944 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-944 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate916420-27-4

Elsewhere

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