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20352-39-0 | Pyrimido[4,5-d]pyrimidine, 2-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-7-methyl-
CAS No: 20352-39-0 Catalog No: AG0028YB MDL No:
Product Description
Catalog Number:
AG0028YB
Chemical Name:
Pyrimido[4,5-d]pyrimidine, 2-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-7-methyl-
CAS Number:
20352-39-0
Molecular Formula:
C13H12Cl2N4
Molecular Weight:
295.1672
IUPAC Name:
7-(2,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine
InChI:
InChI=1S/C13H12Cl2N4/c1-7-16-5-8-6-17-13(19-12(8)18-7)10-3-2-9(14)4-11(10)15/h2-5,13,17H,6H2,1H3,(H,16,18,19)
InChI Key:
CRYDUGTUTOGACT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C1NCc2c(N1)nc(nc2)C
NSC Number:
116958
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.167g/mol
Monoisotopic Mass:
294.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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