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1706441-18-0 | "N1-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine"
CAS No: 1706441-18-0 Catalog No: AG01FLXN MDL No:MFCD28012658
Product Description
Catalog Number:
AG01FLXN
Chemical Name:
"N1-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine"
CAS Number:
1706441-18-0
Molecular Formula:
C15H19N5
Molecular Weight:
269.3449
MDL Number:
MFCD28012658
IUPAC Name:
4-N-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
InChI:
InChI=1S/C15H19N5/c1-11-17-14(19-13-6-4-12(16)5-7-13)10-15(18-11)20-8-2-3-9-20/h4-7,10H,2-3,8-9,16H2,1H3,(H,17,18,19)
InChI Key:
PGHINDNKQBUJCJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Nc1cc(nc(n1)C)N1CCCC1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.164g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.352g/mol
Monoisotopic Mass:
269.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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