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13754-19-3 | 4,5-Pyrimidinediamine
CAS No: 13754-19-3 Catalog No: AG0013JH MDL No:MFCD00006113
Product Description
Catalog Number:
AG0013JH
Chemical Name:
4,5-Pyrimidinediamine
CAS Number:
13754-19-3
Molecular Formula:
C4H6N4
Molecular Weight:
110.1172
MDL Number:
MFCD00006113
IUPAC Name:
pyrimidine-4,5-diamine
InChI:
InChI=1S/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)
InChI Key:
PPAULTVPKLVLII-UHFFFAOYSA-N
SMILES:
Nc1ncncc1N
EC Number:
237-339-0
UNII:
IL00Z9WFM8
NSC Number:
14348
Properties
Complexity:
74.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.059g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
110.12g/mol
Monoisotopic Mass:
110.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antitumor activity of novel ribonucleosides with C-5 OH replaced by a diaminopyrimidinyl group. | Bioorganic & medicinal chemistry letters 20110201 |
| An atypical riboflavin pathway is essential for Brucella abortus virulence. | PloS one 20100101 |
| Preparation of a fully substituted purine library. | Journal of combinatorial chemistry 20050101 |
| Biosynthesis of riboflavin. | Vitamins and hormones 20010101 |
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