2-Amino-5-(chloromethyl)pyrimidine Hydrochloride - CAS 120747-86-6
Catalog: |
BB004963 |
Product Name: |
2-Amino-5-(chloromethyl)pyrimidine Hydrochloride |
CAS: |
120747-86-6 |
Synonyms: |
5-(chloromethyl)-2-pyrimidinamine;hydrochloride; 5-(chloromethyl)pyrimidin-2-amine;hydrochloride |
IUPAC Name: | 5-(chloromethyl)pyrimidin-2-amine;hydrochloride |
Description: | 2-Amino-5-(chloromethyl)pyrimidine Hydrochloride (CAS# 120747-86-6 ) is a useful research chemical. |
Molecular Weight: | 180.04 |
Molecular Formula: | C5H7Cl2N3 |
Canonical SMILES: | C1=C(C=NC(=N1)N)CCl.Cl |
InChI: | InChI=1S/C5H6ClN3.ClH/c6-1-4-2-8-5(7)9-3-4;/h2-3H,1H2,(H2,7,8,9);1H |
InChI Key: | HZCDXBZHIFMCGF-UHFFFAOYSA-N |
Boiling Point: | 349.2 °C at 760 mmHg |
Density: | 1.356 g/cm3 |
LogP: | 2.18080 |
Publication Number | Title | Priority Date |
CA-2987179-A1 | Heterocyclic compounds as inhibitors of vanin-1 enzyme | 20150529 |
EP-3303303-A1 | Novel heterocyclic compounds as inhibitors of vanin-1 enzyme | 20150529 |
JP-2018516254-A | Novel heterocyclic compounds as inhibitors of vanin 1 enzyme | 20150529 |
US-10308615-B2 | Heterocyclic compounds as inhibitors of Vanin-1 enzyme | 20150529 |
US-2018148420-A1 | Novel heterocyclic compounds as inhibitors of vanin-1 enzyme | 20150529 |
Complexity: | 80.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0017026 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0017026 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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