| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 8 | Yes |
Popular Name: Uracil Uracil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103204-67-7 , 144104-68-7 , 24897-50-5 , 35978-19-9 , 4433-22-1 , 51953-14-1 , 51953-19-6 , 51953-20-9 , 66-22-8 , 66224-60-0 , 766-19-8
1,2,3,4-tetrahydropyrimidine-2,4-dione
2(1H)-Pyrimidinone, 4-hydroxy- (9CI)
2(1H)-Pyrimidinone, 6-hydroxy- (9CI)
2,4(1H,3H)-Pyrimidinedione (9CI)
2,4(1H,3H)-pyrimidinedione; 2,4-Dioxopyrimidine; 2,4-Pyrimidinedione; Ura; Urazil; uracil
2,4(3H,5H)-Pyrimidinedione (9CI)
66-22-8; D00027; Uracil (JAN/USAN)
BMS-205603-01; SQ-6201; SQ-7726; SQ-8493
CHEBI:46375; CHEBI:15288; CHEBI:9882; CHEBI:27210
| 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) | -0.90 | -1.29 | -13.32 | 2 | 4 | 0 | 66 | 112.088 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | -3.21 | -35.27 | 1 | 4 | -1 | 69 | 111.08 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.65e+01 g/l | DrugBank-experimental |
| MP | 298 - 300 | Enamine Building Blocks |
| MP | 298...300 | Enamine Building Blocks |
| Mp [°C] | 335 | Acros Organics |
| UniProt Database Links | 438L_IIV6; A20_VACCA; A20_VACCC; A20_VACCW; A20_VAR67; ABC3B_HUMAN; ABC3C_HUMAN; ABC3D_HUMAN; ABC3F_HUMAN; ABC3G_CHLAE; ABC3G_ERYPA; ABC3G_GORGO; ABC3G_HUMAN; ABC3G_LAGLA; ABC3G_MACFA; ABC3G_MACMU; ABC3G_MACNG; ABC3G_PANPA; ABC3G_PANTR; ABC3G_PAPAN; ABC3G | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Therapy | antineoplastic | SMDC Pharmakon |
| Melting_Point | ca 330? | Alfa-Aesar |
| Melting_Point | ca 330° | Alfa-Aesar |
| Target | DNA-dependent protein kinase catalytic subunit(P78527) | Herbal Ingredients Targets |
| PUBCHEM_PATENT_ID | EP0371312A1; US5036068 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0528369A2; EP0528369B1; US5455348 | IBM Patent Data |
| Patent Database Links | EP0774258; EP0884051; EP1072601; EP1101761; EP1106607; EP1122244; EP1247524; EP1386946; EP1408090; EP1416017; EP1430776; EP1466919; EP1498101; EP1518927; EP1526177; EP1541562; EP1541581; EP1557424; EP1559785; EP1568379; EP1611879; EP1632490; EP1671618; EP | ChEBI |
| Target | Others | Selleck Chemicals |
| Reactome Database Links | REACT_1268; REACT_1812; REACT_2153; REACT_2200; REACT_2205; REACT_239; REACT_303; REACT_546; REACT_921; REACT_958; REACT_966 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US5132307 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO1998047879A1; WO2000020378A1; WO2000024707A1 | IBM Patent Data |
| Description | Species |
|---|---|
| Cleavage of the damaged pyrimidine | |
| Depyrimidination | |
| Pyrimidine catabolism | |
| Pyrimidine salvage reactions | |
| Transport of nucleosides and free purine and pyrimidine bases across the plasma |
No pre-computed analogs available. Try a structural similarity search.