2,6-Dichloro-4,8-di-1-piperidinylpyrimido[5,4-D]pyrimidine

C₁₆H₂₀Cl₂N₆CAS 7139-02-8367.28 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₆H₂₀Cl₂N₆
Molar mass: 367.28 g/mol
Exact mass: 366.1127 Da
Melting point: 245–246 °C
logP: 3.71Crippen estimate
Polar surface area: 58.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 2

Identifiers

CAS number

7139-02-8

SMILES

Clc1nc(N2CCCCC2)c2nc(Cl)nc(N3CCCCC3)c2n1

InChIKey

PCVJQTVUJJJSRQ-UHFFFAOYSA-N

InChI

InChI=1S/C16H20Cl2N6/c17-15-20-12-11(13(21-15)23-7-3-1-4-8-23)19-16(18)22-14(12)24-9-5-2-6-10-24/h1-10H2

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

Names and synonyms

2 names

Pyrimido[5,4-d]pyrimidine, 2,6-dichloro-4,8-di-1-piperidinyl-
Pyrimido[5,4-d]pyrimidine, 2,6-dichloro-4,8-dipiperidino-

Work with 2,6-Dichloro-4,8-di-1-piperidinylpyrimido[5,4-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

Dipyridamole58-32-247 % similar 2,4,6,8-Tetrachloropyrimido[5,4-D]pyrimidine32980-71-536 % similar 4-Pyrrolidinylpyridine2456-81-735 % similar 2,4-Dichloro-6-morpholino-1,3,5-triazine6601-22-535 % similar Cyanuric chloride108-77-033 % similar 1-Phenylpyrrolidine4096-21-333 % similar 4′-Piperidinoacetophenone10342-85-532 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-531 % similar

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

Elsewhere

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