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1018473-31-8 | 1,3-Benzenediamine, 4-methyl-N3-[3-methyl-1-[6-(methylamino)-4-pyrimidinyl]-1H-pyrazol-5-yl]-
CAS No: 1018473-31-8 Catalog No: AG0005PB MDL No:
Product Description
Catalog Number:
AG0005PB
Chemical Name:
1,3-Benzenediamine, 4-methyl-N3-[3-methyl-1-[6-(methylamino)-4-pyrimidinyl]-1H-pyrazol-5-yl]-
CAS Number:
1018473-31-8
Molecular Formula:
C16H19N7
Molecular Weight:
309.3690
IUPAC Name:
4-methyl-3-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzene-1,3-diamine
InChI:
InChI=1S/C16H19N7/c1-10-4-5-12(17)7-13(10)21-16-6-11(2)22-23(16)15-8-14(18-3)19-9-20-15/h4-9,21H,17H2,1-3H3,(H,18,19,20)
InChI Key:
QFCHPUMHHBMFGJ-UHFFFAOYSA-N
SMILES:
CNc1ncnc(c1)n1nc(cc1Nc1cc(N)ccc1C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.17g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.377g/mol
Monoisotopic Mass:
309.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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