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18202-82-9 | 4,5-Pyrimidinediamine, 6-chloro-N4-(1-methylethyl)-
CAS No: 18202-82-9 Catalog No: AG0023AK MDL No:MFCD07440141
Product Description
Catalog Number:
AG0023AK
Chemical Name:
4,5-Pyrimidinediamine, 6-chloro-N4-(1-methylethyl)-
CAS Number:
18202-82-9
Molecular Formula:
C7H11ClN4
Molecular Weight:
186.6420
MDL Number:
MFCD07440141
IUPAC Name:
6-chloro-4-N-propan-2-ylpyrimidine-4,5-diamine
InChI:
InChI=1S/C7H11ClN4/c1-4(2)12-7-5(9)6(8)10-3-11-7/h3-4H,9H2,1-2H3,(H,10,11,12)
InChI Key:
LWHSQBMRCOGJRA-UHFFFAOYSA-N
SMILES:
CC(Nc1ncnc(c1N)Cl)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.643g/mol
Monoisotopic Mass:
186.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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