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20352-37-8 | Pyrimido[4,5-d]pyrimidine, 1,2,3,4-tetrahydro-2-(4-methoxyphenyl)-7-methyl-
CAS No: 20352-37-8 Catalog No: AG0028YD MDL No:
Product Description
Catalog Number:
AG0028YD
Chemical Name:
Pyrimido[4,5-d]pyrimidine, 1,2,3,4-tetrahydro-2-(4-methoxyphenyl)-7-methyl-
CAS Number:
20352-37-8
Molecular Formula:
C14H16N4O
Molecular Weight:
256.3030
IUPAC Name:
7-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
InChI:
InChI=1S/C14H16N4O/c1-9-15-7-11-8-16-13(18-14(11)17-9)10-3-5-12(19-2)6-4-10/h3-7,13,16H,8H2,1-2H3,(H,15,17,18)
InChI Key:
LFWJOOADBNILDK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NCc2c(N1)nc(nc2)C
NSC Number:
116951
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.309g/mol
Monoisotopic Mass:
256.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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