5-amino-2-chloropyrimidine - CAS 56621-90-0
Catalog: |
BB029431 |
Product Name: |
5-amino-2-chloropyrimidine |
CAS: |
56621-90-0 |
Synonyms: |
2-chloro-5-pyrimidinamine; 2-chloropyrimidin-5-amine |
IUPAC Name: | 2-chloropyrimidin-5-amine |
Description: | 5-amino-2-chloropyrimidine (CAS# 56621-90-0) is an aminopyrimidine derivative, a fibroblast growth factor receptor 4 inhibitor with anticancer activity. |
Molecular Weight: | 129.55 |
Molecular Formula: | C4H4ClN3 |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)N |
InChI: | InChI=1S/C4H4ClN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2 |
InChI Key: | DZBKIOJXVOECRA-UHFFFAOYSA-N |
Boiling Point: | 338.8 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.437 g/cm3 |
MDL: | MFCD06412560 |
LogP: | 1.29340 |
GHS Hazard Statement: | H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021110890-A1 | Pyridinium derivatives as herbicides | 20191206 |
US-2020299282-A1 | Compounds and methods for treating cancer | 20190320 |
WO-2020073011-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20181005 |
TW-202028210-A | Compounds and compositions for treating conditions associated with apj receptor activity | 20181005 |
CN-113490668-A | Compounds and compositions for treating diseases associated with APJ receptor activity | 20181005 |
Complexity: | 69.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Amines and Anilines
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