Trimethoprim

C₁₄H₁₈N₄O₃CAS 738-70-5290.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₈N₄O₃
Molar mass: 290.32 g/mol
Exact mass: 290.1379 Da
Melting point: 199–203 °C
logP: 0.92Crippen estimate
Polar surface area: 107.0 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 5

Identifiers

CAS number

738-70-5

SMILES

COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OC

InChIKey

IEDVJHCEMCRBQM-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

23 names · show all

Tiempe
Wellcoprim
Trimopan
Monotrim
Proloprim
2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-
Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-
5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine
BW 56-72
2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine
Syraprim
NIH 204
2,4-Diamino-5-(3′,4′,5′-trimethoxybenzyl)pyrimidine
Trimethioprim
Trimetoprim
Triprim
Trimpex
Trimanyl
Instalac
Trimogal
Uretrim
NSC 106568
Infectotrimet

Work with Trimethoprim

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diaveridine5355-16-874 % similar Trimethoprim lactate23256-42-071 % similar Ormetoprim6981-18-664 % similar 3,4,5-Trimethoxybenzylamine18638-99-840 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-040 % similar 3,4,5-Trimethoxybenzyl alcohol3840-31-140 % similar 5-[5-Iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinediamine865305-30-240 % similar (3,4,5-Trimethoxyphenyl)acetonitrile13338-63-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benomyl17804-35-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook