6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidine

C₁₄H₁₃Cl₂N₃CAS 778574-06-4294.18 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₄H₁₃Cl₂N₃
Molar mass: 294.18 g/mol
Exact mass: 293.0487 Da
logP: 3.34Crippen estimate
Polar surface area: 29.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

778574-06-4

SMILES

C1CN(CC2=C1N=C(N=C2Cl)Cl)CC3=CC=CC=C3

InChIKey

VYVJHDWZXQWAFS-UHFFFAOYSA-N

InChI

InChI=1S/C14H13Cl2N3/c15-13-11-9-19(8-10-4-2-1-3-5-10)7-6-12(11)17-14(16)18-13/h1-5H,6-9H2

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Names and synonyms

1 names

6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidine

Work with 6-Benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidine

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

6-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine210539-04-155 % similar 6-Benzyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one109229-22-347 % similar 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline1127-85-145 % similar 2,4-Dichloro-6,7-dihydro-5H-cyclopentapyrimidine5466-43-345 % similar tert-Butyl 2,4-dichloro-7,8-dihydropyrido(4,3-d)pyrimidine-6(5H)-carboxylate635698-56-543 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-541 % similar N-(2-Chloroethyl)dibenzylamine hydrochloride55-43-640 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-439 % similar

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

Elsewhere

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