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1000575-30-3 | 2,4-Diamino-5-(2,6-dichlorobenzyl)pyrimidine
CAS No: 1000575-30-3 Catalog No: AG01FAIR MDL No:
Product Description
Catalog Number:
AG01FAIR
Chemical Name:
2,4-Diamino-5-(2,6-dichlorobenzyl)pyrimidine
CAS Number:
1000575-30-3
Molecular Formula:
C11H10Cl2N4
Molecular Weight:
269.1299
IUPAC Name:
5-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C11H10Cl2N4/c12-8-2-1-3-9(13)7(8)4-6-5-16-11(15)17-10(6)14/h1-3,5H,4H2,(H4,14,15,16,17)
InChI Key:
WMXCJRDWQAACHI-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Cc1c(Cl)cccc1Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.129g/mol
Monoisotopic Mass:
268.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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