N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine

C19H28BrN3O2Si — CID 131743508

IUPACN-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine
SMILESCc1cc(Br)cc(Nc2nccc(OCCO[Si](C)(C)C(C)(C)C)n2)c1
InChIInChI=1S/C19H28BrN3O2Si/c1-14-11-15(20)13-16(12-14)22-18-21-8-7-17(23-18)24-9-10-25-26(5,6)19(2,3)4/h7-8,11-13H,9-10H2,1-6H3,(H,21,22,23)
InChIKeyGRQJXEAWCGTZPY-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.69
Rot. Bonds7

About N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine

N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine (PubChem CID 131743508) has the molecular formula C19H28BrN3O2Si and a molecular weight of 438.44 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine
PubChem CID131743508
Molecular FormulaC19H28BrN3O2Si
Molecular Weight438.44 g/mol
Exact Mass437.11
IUPAC NameN-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine
SMILESCc1cc(Br)cc(Nc2nccc(OCCO[Si](C)(C)C(C)(C)C)n2)c1
InChIInChI=1S/C19H28BrN3O2Si/c1-14-11-15(20)13-16(12-14)22-18-21-8-7-17(23-18)24-9-10-25-26(5,6)19(2,3)4/h7-8,11-13H,9-10H2,1-6H3,(H,21,22,23)
InChIKeyGRQJXEAWCGTZPY-UHFFFAOYSA-N
XLogP5.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
CID 67249356
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
tert-butyl-dimethyl-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]silane
CID 141377156
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
(2S)-3-[4-[3-[[4-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]triazol-1-yl]propane-1,2-diol
CID 118324587
[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 67430239
2-N-(3-bromo-5-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107580965
2-methyl-5-[(4-propoxypyrimidin-2-yl)amino]benzoic acid
CID 115974108
1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 123210602
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
CID 80922595

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine (CID 131743508) is N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine is Cc1cc(Br)cc(Nc2nccc(OCCO[Si](C)(C)C(C)(C)C)n2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine?
The InChIKey is GRQJXEAWCGTZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O2Si/c1-14-11-15(20)13-16(12-14)22-18-21-8-7-17(23-18)24-9-10-25-26(5,6)19(2,3)4/h7-8,11-13H,9-10H2,1-6H3,(H,21,22,23).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine?
N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine has a molecular weight of 438.44 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine is sourced from PubChem (CID 131743508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).