5-Aminopyrimidine - CAS 591-55-9
Catalog: |
BB030290 |
Product Name: |
5-Aminopyrimidine |
CAS: |
591-55-9 |
Synonyms: |
pyrimidin-5-amine |
IUPAC Name: | pyrimidin-5-amine |
Description: | 5-Aminopyrimidine (CAS# 591-55-9) is a useful research chemical. |
Molecular Weight: | 95.10 |
Molecular Formula: | C4H5N3 |
Canonical SMILES: | C1=C(C=NC=N1)N |
InChI: | InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2 |
InChI Key: | FVLAYJRLBLHIPV-UHFFFAOYSA-N |
Boiling Point: | 240.721 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.217 g/cm3 |
LogP: | 0.64000 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185512-A | 5-aminopyrimidino [4,5-b ] quinoline compound and preparation method and application thereof | 20210517 |
CN-113046734-A | Bivalent palladium complex solution and preparation method and application thereof | 20210312 |
CN-111777517-A | Nitrogen-containing compound, and electronic element and electronic device using same | 20200430 |
CN-111777517-B | Nitrogen-containing compound, and electronic element and electronic device using same | 20200430 |
WO-2021204896-A1 | Macrocyclic diamine derivatives as ent inhibitors for the treatment of cancers, and combination thereof with adenosine receptor antagonists | 20200407 |
PMID | Publication Date | Title | Journal |
22989530 | 20121015 | Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening | Bioorganic & medicinal chemistry letters |
22950851 | 20121005 | Evaluation of electrophilic heteroaromatic substitution: synthesis of heteroaromatic-fused pyrimidine derivatives via sequential three-component heterocyclization | The Journal of organic chemistry |
21200681 | 20071206 | 2-Amino-pyrimidinium picrate | Acta crystallographica. Section E, Structure reports online |
11301327 | 20010622 | Biosynthesis of riboflavin: studies on the mechanism of GTP cyclohydrolase II | The Journal of biological chemistry |
Complexity: | 48.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 95.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 95.048347172 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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