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1005-37-4 | 2,4-Pyrimidinediamine, 6-chloro-N4-methyl-
CAS No: 1005-37-4 Catalog No: AG00025O MDL No:MFCD02091108
Product Description
Catalog Number:
AG00025O
Chemical Name:
2,4-Pyrimidinediamine, 6-chloro-N4-methyl-
CAS Number:
1005-37-4
Molecular Formula:
C5H7ClN4
Molecular Weight:
158.5889
MDL Number:
MFCD02091108
IUPAC Name:
6-chloro-4-N-methylpyrimidine-2,4-diamine
InChI:
InChI=1S/C5H7ClN4/c1-8-4-2-3(6)9-5(7)10-4/h2H,1H3,(H3,7,8,9,10)
InChI Key:
CXWJDRREGHIEMH-UHFFFAOYSA-N
SMILES:
CNc1cc(Cl)nc(n1)N
NSC Number:
36831
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.589g/mol
Monoisotopic Mass:
158.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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