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4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol

4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol structure

CAS No:
21253-58-7
Formula:
C13H16N4O3
Chemical Name:
4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol
Synonyms:
Phenol,4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxy-;p-Cresol,α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-;4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol;2,4-Diamino-5-(4-hydroxy-3,5-dimethoxybenzyl)pyrimidine;2,4-Diamino-5-(3,5-dimethoxy-4-hydroxybenzyl)pyrimidine;4-Demethyltrimethoprim;4′-Hydroxytrimethoprim;Ro 5-9552/001

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4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol Basic Attributes

Molecular Weight：

276.29

Exact Mass：

276.29

UNII：

N775B87UF5

Characteristics

Density：

1.339±0.06 g/cm3

Melting Point：

265-270 °C (decomp)

Boiling Point：

567.4±60.0 °C(Predicted)

PKA：

9.88±0.25

4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol Use and Manufacturing

4-Demethyltrimethoprim is an impurity of Trimethoprim (T795615), an antibacterial agent.

Computed Properties

Molecular Weight:276.29
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:276.12224039
Monoisotopic Mass:276.12224039
Topological Polar Surface Area:117
Heavy Atom Count:20
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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