4-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-phenol - CAS 1397693-25-2
Catalog: |
BB068239 |
Product Name: |
4-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-phenol |
CAS: |
1397693-25-2 |
Synonyms: |
4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenol; 4-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-phenol |
IUPAC Name: | 4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenol |
Description: | Used in the synthesis of anti-folate antimalarial agents. |
Molecular Weight: | 230.27 |
Molecular Formula: | C12H14N4O |
Canonical SMILES: | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)O |
InChI: | InChI=1S/C12H14N4O/c1-2-9-10(11(13)16-12(14)15-9)7-3-5-8(17)6-4-7/h3-6,17H,2H2,1H3,(H4,13,14,15,16) |
InChI Key: | DUOKVAUGAKCJDC-UHFFFAOYSA-N |
Melting Point: | >218°C (dec.) |
Solubility: | Basic Alcohol (Slightly), DMSO (Slightly, Heated) |
Appearance: | Light Brown Solid |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.11676108 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.11676108 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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