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2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine

2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine structure

CAS No:
33210-40-1
Formula:
C17H25ClN2O
Chemical Name:
2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine
Synonyms:
3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine;33210-40-1;BRN 0819178;2-(4-Chloro-alpha-ethoxybenzyl)-5,5-diethyl-3,4,5,6-tetrahydropyrimidine;2-(p-Chloro-alpha-ethoxybenzyl)-5,5-diethyl-3,4,5,6-tetrahydropyrimidine;3,4,5,6-Tetrahydro-2-(p-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine;Pyrimidine, 3,4,5,6-tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethyl-;DTXSID90954821;2-[(4-Chlorophenyl)(ethoxy)methyl]-5,5-diethyl-1,4,5,6-tetrahydropyrimidine

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2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine Basic Attributes

Molecular Weight：

308.8 g/mol

Exact Mass：

308.1655411 g/mol

Characteristics

PSA：

33.6 Å²

XLogP3：

3.9901

Melting Point：

68 - 70 °C

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	375 mg/kg	Details of toxic effects not reported other than lethal dose value--	Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,702,1974

Computed Properties

Molecular Weight:308.8
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:308.1655411
Monoisotopic Mass:308.1655411
Topological Polar Surface Area:33.6
Heavy Atom Count:21
Complexity:347
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine

Basic Attributes
Characteristics
Toxicity
Computed Properties

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