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2360-70-5 | 2,4-Pyrimidinediamine, 5-[3-(phenylamino)propyl]-6-(phenylmethyl)-
CAS No: 2360-70-5 Catalog No: AG002NV0 MDL No:
Product Description
Catalog Number:
AG002NV0
Chemical Name:
2,4-Pyrimidinediamine, 5-[3-(phenylamino)propyl]-6-(phenylmethyl)-
CAS Number:
2360-70-5
Molecular Formula:
C20H23N5
Molecular Weight:
333.4301
IUPAC Name:
5-(3-anilinopropyl)-6-benzylpyrimidine-2,4-diamine
InChI:
InChI=1S/C20H23N5/c21-19-17(12-7-13-23-16-10-5-2-6-11-16)18(24-20(22)25-19)14-15-8-3-1-4-9-15/h1-6,8-11,23H,7,12-14H2,(H4,21,22,24,25)
InChI Key:
GIYDSGQBMCQPEJ-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)Cc1ccccc1)CCCNc1ccccc1
NSC Number:
101190
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.439g/mol
Monoisotopic Mass:
333.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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