IUPAC name
2-(2-butyl-4-methyl-6-oxo-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide
SMILES
CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1
Compound class
Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System;
Therapeutic area
Used for the treatment of hypertension and heart failure.
Common name
Fimasartan
IUPAC name
2-(2-butyl-4-methyl-6-oxo-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide
SMILES
CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1
INCHI
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)
FORMULA
C27H31N7OS
Common name
Fimasartan
IUPAC name
2-(2-butyl-4-methyl-6-oxo-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide
Molecular weight
501.646
clogP
6.486
clogS
-8.049
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
124.68
Number of Rings
4
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF04342 | 3,6-dimethylpyrimidin-4-one |
|
Cn1c(=O)cc(nc1)C | 0.0003 |
| FDBF04346 | 2,3,6-trimethylpyrimidin-4-one |
|
Cn1c(=O)cc(nc1C)C | 0.0003 |
| FDBF04347 | 2,4,5-trimethyl-1H-pyrimidin-6-one |
|
O=c1[nH]c(nc(c1C)C)C | 0.0003 |
| FDBF04349 | 3,5,6-trimethylpyrimidin-4-one |
|
Cn1c(=O)c(c(nc1)C)C | 0.0003 |
| FDBF04352 | 3-benzyl-5,6-dimethyl-pyrimidin-4-one |
|
C(c1ccccc1)n2c(=O)c(c(nc2)C)C | 0.0003 |
| FDBF04356 | 2-ethyl-4,5-dimethyl-1H-pyrimidin-6-one |
|
CCc1[nH]c(=O)c(c(n1)C)C | 0.0003 |
| FDBF04360 | 2-ethyl-3,5,6-trimethyl-pyrimidin-4-one |
|
CCc1n(c(=O)c(c(n1)C)C)C | 0.0003 |
| FDBF04365 | 2-butyl-3,5,6-trimethyl-pyrimidin-4-one |
|
C(CC)Cc1n(c(=O)c(c(n1)C)C)C | 0.0003 |
| FDBF04366 | dimethylaminomethanethiol |
|
SCN(C)C | 0.0021 |
