Common name
1-methyl-5,6-dihydro-4H-pyrimidine
IUPAC name
1-methyl-5,6-dihydro-4H-pyrimidine
SMILES
N1(C=NCCC1)C
Common name
1-methyl-5,6-dihydro-4H-pyrimidine
IUPAC name
1-methyl-5,6-dihydro-4H-pyrimidine
SMILES
N1(C=NCCC1)C
INCHI
InChI=1S/C5H10N2/c1-7-4-2-3-6-5-7/h5H,2-4H2,1H3
FORMULA
C5H10N2
Common name
1-methyl-5,6-dihydro-4H-pyrimidine
IUPAC name
1-methyl-5,6-dihydro-4H-pyrimidine
Molecular weight
98.146
clogP
1.291
clogS
-0.444
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
15.6
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00264 | Oxyphencyclimine |
|
Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | For the treatment of peptic ulcer disease and the relief of smooth muscle spasms in gastrointestinal disorders. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m21_ligand_frag_10.mol2 | 1m21 | 0.844444 | -5.23 | C1NC(=NCC1)N | 7 |
| 1m21_ligand_1_10.mol2 | 1m21 | 0.77551 | -5.42 | C[C@H]1NC(=NCC1)N | 8 |
| 1sqb_ligand_2_5.mol2 | 1sqb | 0.644068 | -5.82 | C1C(=O)N=CNC1=O | 8 |
| 4s1g_ligand_1_0.mol2 | 4s1g | 0.634921 | -6.49 | CN1C(=O)C[C@@H](N=C1N)C | 10 |
| 4xx3_ligand_1_5.mol2 | 4xx3 | 0.634921 | -6.49 | CN1C(=O)C[C@@H]([NH]=C1N)C | 10 |
| 2va7_ligand_1_4.mol2 | 2va7 | 0.634921 | -6.48 | CC1(CC(=O)N(C(=N1)N)C)C | 11 |
| 4frs_ligand_frag_1.mol2 | 4frs | 0.634921 | -6.38 | C1C(=O)N(C(=N[C@H]1C)N)C | 10 |
| 4fs4_ligand_frag_3.mol2 | 4fs4 | 0.634921 | -6.23 | [C@@H]1(CC(=O)N(C(=N1)N)C)C | 10 |
102 ,
11
