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16357-81-6 | Pyrimido[4,5-d]pyrimidine-2,4-diamine
CAS No: 16357-81-6 Catalog No: AG001U8N MDL No:MFCD18449399
Product Description
Catalog Number:
AG001U8N
Chemical Name:
Pyrimido[4,5-d]pyrimidine-2,4-diamine
CAS Number:
16357-81-6
Molecular Formula:
C6H6N6
Molecular Weight:
162.1520
MDL Number:
MFCD18449399
IUPAC Name:
pyrimido[4,5-d]pyrimidine-2,4-diamine
InChI:
InChI=1S/C6H6N6/c7-4-3-1-9-2-10-5(3)12-6(8)11-4/h1-2H,(H4,7,8,9,10,11,12)
InChI Key:
CEXXKZCAMOMPLI-UHFFFAOYSA-N
SMILES:
Nc1nc2ncncc2c(n1)N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.156g/mol
Monoisotopic Mass:
162.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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