(Last updated March 2026)
Figure . The molecular diagram of amino pyrimidine.
| REFCODE | XAQNUZ |
|---|---|
| Formula | C5 H7 N3 |
| Common Name | 4-methyl-pyrimidin-2-ylamine |
| IUPAC Systematic Name | 4-methyl-pyrimidin-2-ylamine |
| Other Names | |
| CSD Refcodes | XAQNUZ |
| Search Identifier | A |
| Scientist | Panos Karamertzanis |
| Date | 2008 |
| Publication | No publication planned (component of Blind Test XV) |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | Mercury, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\blindtestbase |
| Potential Description | DMA + FIT |
| Intramolecular Description | MP2/6-31G(d,p) |
Figure . Crystal energy landscape of amino pyrimidine from previous work. Amino pyrimidine (Energy model A1).
Table . Crystallographic information for CSD entries for amino pyrimidine and otolic acid. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| XAQNUZ | P21/c | 1.0 | 5.8369 | 14.002 | 7.269 | 90.0 | 109.86 | 90.0 | 1.4759 | None |
Table . Experimental information for CSD entries for amino pyrimidine and otolic acid.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| XAQNUZ | P21/c | 4.75 | at 203 K | 2005 | 10.1524/zkri.220.4.325.61619 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.