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4-Methyl-2,6-dimorpholin-4-yl-pyrimidine 4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine 52026-44-5
Identification and Related Records
【Name】
4-methyl-2,6-dimorpholin-4-yl-pyrimidine
【Iupac name】
4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)morpholine
【CAS Registry number】
52026-44-5
【Synonyms】
4,4'-(6-Methylpyrimidine-2,4-diyl)dimorpholine
Morpholine, 4,4'-(6-methyl-2,4-pyrimidinediyl)bis-
【Molecular Formula】
C13H20N4O2 (Products with the same molecular formula)
【Molecular Weight】
264.3235
【Inchi】
InChI=1/C13H20N4O2/c1-11-10-12(16-2-6-18-7-3-16)15-13(14-11)17-4-8-19-9-5-17/h10H,2-9H2,1H3
【Canonical SMILES】
CC1=CC(=NC(=N1)N2CCOCC2)N3CCOCC3
Chemical and Physical Properties
【Density】
1.208g/cm3
【Boiling Point】
492.8°Cat760mmHg
【Refractive Index】
1.561
【Flash Point】
492.8°Cat760mmHg
【Computed Properties】
Molecular Weight:264.3235 [g/mol]
Molecular Formula:C13H20N4O2
XLogP3-AA:0.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:264.158626
MonoIsotopic Mass:264.158626
Topological Polar Surface Area:50.7
Heavy Atom Count:19
Formal Charge:0
Complexity:280
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4.4
Conformer Sampling RMSD:0.6
CID Conformer Count:38
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