200,000+ products from a single source!
sales@angenechem.com
16597-42-5 | 5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-[(4-methylphenyl)amino]-
CAS No: 16597-42-5 Catalog No: AG001WG2 MDL No:
Product Description
Catalog Number:
AG001WG2
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-[(4-methylphenyl)amino]-
CAS Number:
16597-42-5
Molecular Formula:
C12H13N5O
Molecular Weight:
243.2645
IUPAC Name:
2,4-diamino-6-(4-methylanilino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H13N5O/c1-7-2-4-8(5-3-7)15-11-9(6-18)10(13)16-12(14)17-11/h2-6H,1H3,(H5,13,14,15,16,17)
InChI Key:
UMJHPTLILDCPRB-UHFFFAOYSA-N
SMILES:
O=Cc1c(Nc2ccc(cc2)C)nc(nc1N)N
NSC Number:
103523
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.27g/mol
Monoisotopic Mass:
243.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.