| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 6 | Yes |
Popular Name: Pyrimidine Pyrimidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 289-95-2 , [289-95-2]
1,3-Diazin; Pyrimidin; m-diazine
C00396; Pyrimidine; Pyrimidine base
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.21 | 2.55 | -5.12 | 0 | 2 | 0 | 26 | 80.09 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 123 | TCI |
| BP [°C] | 123 - 124 | Acros Organics |
| Boiling_Point | 123-124? | Alfa-Aesar |
| Boiling_Point | 123-124° | Alfa-Aesar |
| Mp [°C] | 20 - 22 | Acros Organics |
| Melting_Point | 20-22? | Alfa-Aesar |
| Melting_Point | 20-22° | Alfa-Aesar |
| UniProt Database Links | 438L_IIV6; 5N3BA_XENLA; 5N3BB_XENLA; 5NT3A_CHICK; 5NT3A_HUMAN; 5NT3A_MOUSE; 5NT3B_CHICK; 5NT3B_DROME; 5NT3B_HUMAN; 5NT3B_MOUSE; 5NT3B_RAT; 5NT3_CAEEL; 5NT3_DANRE; AAPK1_HUMAN; AAPK1_MOUSE; AAPK1_PIG; AAPK1_PONAB; AAPK1_RAT; AAPK2_HUMAN; AAPK2_MOUSE; AAPK2 | ChEBI |
| Patent Database Links | EP0771800; EP0773026; EP0791849; EP0805190; EP0806418; EP0806422; EP0819690; EP0826685; EP0841326; EP0848000; EP0860438; EP0877022; EP0889044; EP0894791; EP0899263; EP0906758; EP0926138; EP0934924; EP0945442; EP0945443; EP0949242; EP0967205; EP0970954; EP | ChEBI |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.