2-(Phenylmethyl)-4-pyrimidinamine - CAS 22404-44-0
Catalog: |
BB056745 |
Product Name: |
2-(Phenylmethyl)-4-pyrimidinamine |
CAS: |
22404-44-0 |
Synonyms: |
(8CI)-4-Amino-2-benzyl-pyrimidine |
IUPAC Name: | 2-benzylpyrimidin-4-amine |
Description: | 2-(Phenylmethyl)-4-pyrimidinamine is used as a reagent in the preparation of N-pyridyl-N'-arylguanidines and analogs as gastric acid secretion inhibitors. |
Molecular Weight: | 185.23 |
Molecular Formula: | C11H11N3 |
Canonical SMILES: | C1=CC=C(C=C1)CC2=NC=CC(=N2)N |
InChI: | InChI=1S/C11H11N3/c12-10-6-7-13-11(14-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14) |
InChI Key: | ATTMAZIMEUWSOA-UHFFFAOYSA-N |
References: | Ife, R. J., et al. PCT Int. Appl. (1994), WO 9426715 A1 19941124. |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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