4-Amino-5-pyrimidinemethylamine - CAS 103694-27-5
Catalog: |
BB074497 |
Product Name: |
4-Amino-5-pyrimidinemethylamine |
CAS: |
103694-27-5 |
Synonyms: |
5-(aminomethyl)pyrimidin-4-amine; 4-Amino-5-pyrimidinemethylamine; 5-Pyrimidinemethanamine, 4-amino- (9CI); 4-Amino-5-pyrimidinemethanamine; 5-pyrimidinemethanamine,4-amino- |
IUPAC Name: | 5-(aminomethyl)pyrimidin-4-amine |
Molecular Weight: | 124.14 |
Molecular Formula: | C5H8N4 |
Canonical SMILES: | C1=C(C(=NC=N1)N)CN |
InChI: | InChI=1S/C5H8N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,1,6H2,(H2,7,8,9) |
InChI Key: | MKYITYRIURYLEQ-UHFFFAOYSA-N |
Solubility: | DMF, DMSO, Methanol |
Appearance: | Brown Solid |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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