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20352-41-4 | Pyrimido[4,5-d]pyrimidine, 2-(4-fluorophenyl)-1,2,3,4-tetrahydro-7-methyl-
CAS No: 20352-41-4 Catalog No: AG0028Y9 MDL No:
Product Description
Catalog Number:
AG0028Y9
Chemical Name:
Pyrimido[4,5-d]pyrimidine, 2-(4-fluorophenyl)-1,2,3,4-tetrahydro-7-methyl-
CAS Number:
20352-41-4
Molecular Formula:
C13H13FN4
Molecular Weight:
244.2675
IUPAC Name:
7-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
InChI:
InChI=1S/C13H13FN4/c1-8-15-6-10-7-16-12(18-13(10)17-8)9-2-4-11(14)5-3-9/h2-6,12,16H,7H2,1H3,(H,15,17,18)
InChI Key:
QSVDGTUZJCSAGB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1NCc2c(N1)nc(nc2)C
NSC Number:
116975
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.273g/mol
Monoisotopic Mass:
244.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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