Common name
4-isopropylpyrimidine
IUPAC name
4-isopropylpyrimidine
SMILES
n1c(ccnc1)C(C)C
Common name
4-isopropylpyrimidine
IUPAC name
4-isopropylpyrimidine
SMILES
n1c(ccnc1)C(C)C
INCHI
InChI=1S/C7H10N2/c1-6(2)7-3-4-8-5-9-7/h3-6H,1-2H3
FORMULA
C7H10N2
Common name
4-isopropylpyrimidine
IUPAC name
4-isopropylpyrimidine
Molecular weight
122.168
clogP
1.785
clogS
-1.974
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00948 | Rosuvastatin |
|
Hydroxymethylglutaryl-CoA Reductase Inhibitors; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial), mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore, it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nah_ligand_1_0.mol2 | 4nah | 1 | -5.99 | c1(ccncn1)CC | 8 |
| 4nau_ligand_1_0.mol2 | 4nau | 1 | -5.93 | C(C)c1ccncn1 | 8 |
| 3ith_ligand_1_2.mol2 | 3ith | 1 | -5.57 | c1cc(ncn1)CC | 8 |
| 4ty1_ligand_1_4.mol2 | 4ty1 | 0.822222 | -5.97 | c1nccc(n1)C1CC1 | 9 |
105 ,
11
