
IUPAC name
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES
COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC
Compound class
Antimalarials; Folic Acid Antagonists; Anti-Infective Agents; Anti-Infective Agents, Urinary; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Sulfonamides and Trimethoprim; Sulfonamides and Trimethoprim Incl. Derivatives; Trimethoprim and Derivatives; Sulfonamides and Trimethoprim for Intramammary Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of urinary tract infections, uncomplicated pyelonephritis (with sulfamethoxazole) and mild acute prostatitis. May be used as pericoital (with sulfamethoxazole) or continuous prophylaxis in females with recurrent cystitis. May be used as an alternative to treat asymptomatic bacteriuria during pregnancy (only before the last 6 weeks of pregnancy). Other uses include: alternative agent in respiratory tract infections (otitis, sinusitus, bronchitis and pneumonia), treatment of Pneumocystis jirovecii pneumonia (acute or prophylaxis), Nocardia infections, and traveller's diarrhea.
Common name
Trimethoprim
IUPAC name
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES
COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC
INCHI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
FORMULA
C14H18N4O3

Common name
Trimethoprim
IUPAC name
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular weight
290.318
clogP
1.409
clogS
-3.779
HBond Acceptor
5
HBond Donor
4
Total Polar Surface Area
105.51
Number of Rings
2
Rotatable Bond
5
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00005 | benzene |
![]() |
c1ccccc1 | 0.2824 |
FDBF00023 | toluene |
![]() |
c1(ccccc1)C | 0.1268 |
FDBF00211 | anisole |
![]() |
COc1ccccc1 | 0.0423 |
FDBF00218 | 1-methoxy-4-methyl-benzene |
![]() |
O(C)c1ccc(cc1)C | 0.0113 |
FDBF00296 | 1,3-dimethoxybenzene |
![]() |
c1cc(cc(c1)OC)OC | 0.0041 |
FDBF00297 | 1,2-dimethoxybenzene |
![]() |
O(C)c1ccccc1OC | 0.0093 |
FDBF00298 | 1,2,3-trimethoxybenzene |
![]() |
O(C)c1c(cccc1OC)OC | 0.0034 |
FDBF00958 | 1-methoxy-3-methyl-benzene |
![]() |
Cc1cccc(c1)OC | 0.0038 |
FDBF00960 | 1,2-dimethoxy-4-methyl-benzene |
![]() |
Cc1ccc(c(c1)OC)OC | 0.0031 |
FDBF00961 | 1,2,3-trimethoxy-5-methyl-benzene |
![]() |
Cc1cc(c(c(c1)OC)OC)OC | 0.0010 |