Rel-5-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol

C₂₅H₃₁N₅O₄CAS 938440-64-3465.55 g/mol

Open in Covalent MOL file

Alcohol Ether Tertiary amine

Properties

Molecular formula: C₂₅H₃₁N₅O₄
Molar mass: 465.55 g/mol
Exact mass: 465.2376 Da
logP: 2.64Crippen estimate
Polar surface area: 93.1 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 5
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

938440-64-3

SMILES

COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CO

InChIKey

RFSMUFRPPYDYRD-CALCHBBNNA-N

InChI

InChI=1/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+

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

Names and synonyms

2 names

Benzenemethanol, 5-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-, rel-
Ku 0063794

Work with Rel-5-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-4-(4-morpholinyl)pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol

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

3-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[5,6-E]pyrimidin-7-yl]-N-methylbenzamide1009298-59-234 % similar 2,5-Dimethoxybenzyl alcohol33524-31-132 % similar 5-Bromo-2-methoxybenzenemethanol80866-82-631 % similar

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

Same formula

5-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-D]pyrimidin-7-yl]-2-methoxybenzenemethanol1009298-09-2

Elsewhere

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