Home Other Building Blocks 2,4-PyriMidinediaMine with linker

2,4-PyriMidinediaMine with linker

CAS No.:
1430089-64-7
Catalog Number:
AG009CG6
Molecular Formula:
C19H24N8
Molecular Weight:
364.4475
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Product Description
Catalog Number:
AG009CG6
Chemical Name:
2,4-PyriMidinediaMine with linker
CAS Number:
1430089-64-7
Molecular Formula:
C19H24N8
Molecular Weight:
364.4475
MDL Number:
MFCD28385887
IUPAC Name:
2-N-[4-(3-aminopropylamino)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C19H24N8/c20-9-1-10-21-14-4-6-15(7-5-14)23-19-22-11-8-17(25-19)24-18-12-16(26-27-18)13-2-3-13/h4-8,11-13,21H,1-3,9-10,20H2,(H3,22,23,24,25,26,27)
InChI Key:
UYYZTTPXKIYERF-UHFFFAOYSA-N
SMILES:
NCCCNc1ccc(cc1)Nc1nccc(n1)Nc1n[nH]c(c1)C1CC1
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.212g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
364.457g/mol
Monoisotopic Mass:
364.212g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties