COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N
CAS: 27653-69-6
Nom: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
SMILES: COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N

Molecular Processing

Molecular formula
C13H16N4O3
Molecular weight
276.3
Exact mass
276.1222
XLogP
0.95
TPSA
116.51
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
20
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
0.231
Molar refractivity
74.87

Supplementary Information

InChIKey: HWBPOLWLLFXEJY-UHFFFAOYSA-N
Synonymes
27653-69-63'-Hydroxytrimethoprim3-Demethyltrimethoprim3-Demethyl-trimethoprimRY09Z6E3O8UNII-RY09Z6E3O82,4-diamino-5-(3-hydroxy-4,5-dimethoxybenzyl)pyrimidinePhenol, 5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxy-5-((2,4-Diamino-5-pyrimidinyl)methyl)-2,3-dimethoxyphenolPhenol, 5-((2,4-diamino-5-pyrimidinyl)methyl)-2,3-dimethoxy-RefChem:936605-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol5-((2,4-Diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenolHWBPOLWLLFXEJY-UHFFFAOYSA-N3-DesmethyltrimethoprimSCHEMBL5657770SCHEMBL28640879SCHEMBL31656497DTXSID10511435CHEBI:186190AKOS030254951NS000020742,4-diamino-5-(3-hydroxy-4,5-dimethoxy-benzyl)pyrimidine
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Recherche Etendue

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