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Home > Aldehydes > 921848-59-1

921848-59-1

921848-59-1 | 5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-(ethylamino)-

CAS No: 921848-59-1 Catalog No: AG006GJX MDL No:

Product Description

Catalog Number:
AG006GJX
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-(ethylamino)-
CAS Number:
921848-59-1
Molecular Formula:
C7H11N5O
Molecular Weight:
181.1951
IUPAC Name:
2,4-diamino-6-(ethylamino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H11N5O/c1-2-10-6-4(3-13)5(8)11-7(9)12-6/h3H,2H2,1H3,(H5,8,9,10,11,12)
InChI Key:
UWYBWRZHMSVQRF-UHFFFAOYSA-N
SMILES:
CCNc1nc(N)nc(c1C=O)N

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.096g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
181.199g/mol
Monoisotopic Mass:
181.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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