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13665-58-2 | Pyrimido[5,4-d]pyrimidine, 2,4,6-tri-4-morpholinyl-
CAS No: 13665-58-2 Catalog No: AG00126V MDL No:
Product Description
Catalog Number:
AG00126V
Chemical Name:
Pyrimido[5,4-d]pyrimidine, 2,4,6-tri-4-morpholinyl-
CAS Number:
13665-58-2
Molecular Formula:
C18H25N7O3
Molecular Weight:
387.4362
IUPAC Name:
4-(2,4-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl)morpholine
InChI:
InChI=1S/C18H25N7O3/c1-7-26-8-2-23(1)16-15-14(20-18(22-16)25-5-11-28-12-6-25)13-19-17(21-15)24-3-9-27-10-4-24/h13H,1-12H2
InChI Key:
VDYSTDTZDXTLCV-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)c1nc2cnc(nc2c(n1)N1CCOCC1)N1CCOCC1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.202g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.444g/mol
Monoisotopic Mass:
387.202g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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