Ormetoprim

C₁₄H₁₈N₄O₂CAS 6981-18-6274.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₈N₄O₂
Molar mass: 274.32 g/mol
Exact mass: 274.1430 Da
Melting point: 230 °C
logP: 1.22Crippen estimate
Polar surface area: 97.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4

Identifiers

CAS number

6981-18-6

SMILES

COc1cc(C)c(Cc2c[nH]c(=N)[nH]c2=N)cc1OC

InChIKey

KEEYRKYKLYARHO-UHFFFAOYSA-N

InChI

InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)

Weigh it out

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

Names and synonyms

12 names

2,4-Pyrimidinediamine, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-
Pyrimidine, 2,4-diamino-5-(6-methylveratryl)-
5-[(4,5-Dimethoxy-2-methylphenyl)methyl]-2,4-pyrimidinediamine
2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine
2,4-Diamino-5-(2-methyl-4,5-dimethoxybenzyl)pyrimidine
2,4-Diamino-5-(6-methylveratryl)pyrimidine
2,4-Diamino-5-(2′-methyl-4′,5′-dimethoxybenzyl)pyrimidine
2,4-Diamino-5-(4′,5′-dimethoxy-2′-methylbenzyl)pyrimidine
2,4-Diamino-5-(3,4-dimethoxy-6-methylbenzyl)pyrimidine
Ormethoprim
Ro 5-9754
NSC 95072

Work with Ormetoprim

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

Diaveridine5355-16-866 % similar Trimethoprim738-70-564 % similar Trimethoprim lactate23256-42-047 % similar 5-[5-Iodo-4-methoxy-2-(1-methylethyl)phenoxy]-2,4-pyrimidinediamine865305-30-243 % similar 5,6-Dimethoxy-1-indanone2107-69-933 % similar 4-Amino-2-chloro-6,7-dimethoxyquinazoline23680-84-433 % similar 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline60547-97-933 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-933 % similar

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

Elsewhere

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