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86295-69-4 | 2,4-Pyrimidinediamine, 5-[(1-methyl-1H-indol-3-yl)methyl]-
CAS No: 86295-69-4 Catalog No: AG004RKO MDL No:
Product Description
Catalog Number:
AG004RKO
Chemical Name:
2,4-Pyrimidinediamine, 5-[(1-methyl-1H-indol-3-yl)methyl]-
CAS Number:
86295-69-4
Molecular Formula:
C14H15N5
Molecular Weight:
253.3024
IUPAC Name:
5-[(1-methylindol-3-yl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C14H15N5/c1-19-8-10(11-4-2-3-5-12(11)19)6-9-7-17-14(16)18-13(9)15/h2-5,7-8H,6H2,1H3,(H4,15,16,17,18)
InChI Key:
XRVNVZOMBDLKJY-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Cc1cn(c2c1cccc2)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.309g/mol
Monoisotopic Mass:
253.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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