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1004-18-8 | 2,4-Pyrimidinediamine, N4-methyl-
CAS No: 1004-18-8 Catalog No: AG0001WC MDL No:MFCD12024465
Product Description
Catalog Number:
AG0001WC
Chemical Name:
2,4-Pyrimidinediamine, N4-methyl-
CAS Number:
1004-18-8
Molecular Formula:
C5H8N4
Molecular Weight:
124.1438
MDL Number:
MFCD12024465
IUPAC Name:
4-N-methylpyrimidine-2,4-diamine
InChI:
InChI=1S/C5H8N4/c1-7-4-2-3-8-5(6)9-4/h2-3H,1H3,(H3,6,7,8,9)
InChI Key:
ZYRZYWIROWSDLB-UHFFFAOYSA-N
SMILES:
CNc1ccnc(n1)N
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
124.147g/mol
Monoisotopic Mass:
124.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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