COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
CAS: 738-70-5
Nom: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

Molecular Processing

Molecular formula
C14H18N4O3
Molecular weight
290.32
Exact mass
290.1379
XLogP
1.26
TPSA
105.51
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
79.76

Supplementary Information

InChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
Synonymes
trimethoprim738-70-5ProloprimTrimpex2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidineTrimetoprimMonotrimTrimopanWellcoprimSyraprimMonoprimUretrimTrimethoprimeTrimethoprimumTrimetoprima5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineTiempeTrimpex 200NSC-106568BW 56-72NIH 204TrimogalInfectotrimetDTXSID30237122,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-BW-56-72NIH-2045-(3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidine5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamineAN164J8Y0X
Voir la source →
Impliqué dans 14 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→