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Home > Nitro Compounds > 20352-38-9
20352-38-9 | Pyrimido[4,5-d]pyrimidine, 1,2,3,4-tetrahydro-7-methyl-2-(4-nitrophenyl)-
CAS No: 20352-38-9 Catalog No: AG0028YC MDL No:
Product Description
Catalog Number:
AG0028YC
Chemical Name:
Pyrimido[4,5-d]pyrimidine, 1,2,3,4-tetrahydro-7-methyl-2-(4-nitrophenyl)-
CAS Number:
20352-38-9
Molecular Formula:
C13H13N5O2
Molecular Weight:
271.2746
IUPAC Name:
2-methyl-7-(4-nitrophenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
InChI:
InChI=1S/C13H13N5O2/c1-8-14-6-10-7-15-12(17-13(10)16-8)9-2-4-11(5-3-9)18(19)20/h2-6,12,15H,7H2,1H3,(H,14,16,17)
InChI Key:
LUSZVXAVSCONQE-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(n1)NC(NC2)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
116972
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.28g/mol
Monoisotopic Mass:
271.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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