2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide

C32H38Br2Cl3CuN7O6 — CID 159166625

IUPAC2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide
SMILESCCN(C(C)C)C(C)C.CONC(=O)c1ccccc1O.CONC(=O)c1ccccc1Oc1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1.[Cu]
InChIInChI=1S/C12H9BrClN3O3.C8H9NO3.C8H19N.C4HBrCl2N2.Cu/c1-19-17-10(18)7-4-2-3-5-9(7)20-11-8(13)6-15-12(14)16-11;1-12-9-8(11)6-4-2-3-5-7(6)10;1-6-9(7(2)3)8(4)5;5-2-1-8-4(7)9-3(2)6;/h2-6H,1H3,(H,17,18);2-5,10H,1H3,(H,9,11);7-8H,6H2,1-5H3;1H;
InChIKeyKLDPTRLLGGEBTN-UHFFFAOYSA-N
MW946.41 g/mol
LogP8.33
Rot. Bonds9

About 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide (PubChem CID 159166625) has the molecular formula C32H38Br2Cl3CuN7O6 and a molecular weight of 946.41 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide.

Molecular Properties

Compound Name2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide
PubChem CID159166625
Molecular FormulaC32H38Br2Cl3CuN7O6
Molecular Weight946.41 g/mol
Exact Mass941.96
IUPAC Name2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide
SMILESCCN(C(C)C)C(C)C.CONC(=O)c1ccccc1O.CONC(=O)c1ccccc1Oc1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1.[Cu]
InChIInChI=1S/C12H9BrClN3O3.C8H9NO3.C8H19N.C4HBrCl2N2.Cu/c1-19-17-10(18)7-4-2-3-5-9(7)20-11-8(13)6-15-12(14)16-11;1-12-9-8(11)6-4-2-3-5-7(6)10;1-6-9(7(2)3)8(4)5;5-2-1-8-4(7)9-3(2)6;/h2-6H,1H3,(H,17,18);2-5,10H,1H3,(H,9,11);7-8H,6H2,1-5H3;1H;
InChIKeyKLDPTRLLGGEBTN-UHFFFAOYSA-N
XLogP8.33
TPSA160.92 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.41
LogP ≤ 58.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methylbenzamide;2,4,5-trichloropyrimidine
CID 157058286
5-bromo-4-chloro-2-methylpyrimidine;[2-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]-pyrrolidin-1-ylmethanone;N-ethyl-N-propan-2-ylpropan-2-amine;(2-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 159399451
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
CID 145025563
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
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CID 161162543
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
CID 11668575
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-chloro-4-(cyclopropylamino)pyrimidine-5-carboxylic acid;cyclopropanamine;2,4-dichloropyrimidine-5-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158603759

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide?
The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide (CID 159166625) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide.
What is the SMILES notation for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide?
The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide is CCN(C(C)C)C(C)C.CONC(=O)c1ccccc1O.CONC(=O)c1ccccc1Oc1nc(Cl)ncc1Br.Clc1ncc(Br)c(Cl)n1.[Cu].
What is the InChIKey of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide?
The InChIKey is KLDPTRLLGGEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O3.C8H9NO3.C8H19N.C4HBrCl2N2.Cu/c1-19-17-10(18)7-4-2-3-5-9(7)20-11-8(13)6-15-12(14)16-11;1-12-9-8(11)6-4-2-3-5-7(6)10;1-6-9(7(2)3)8(4)5;5-2-1-8-4(7)9-3(2)6;/h2-6H,1H3,(H,17,18);2-5,10H,1H3,(H,9,11);7-8H,6H2,1-5H3;1H;.
What are the key properties of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide?
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide has a molecular weight of 946.41 g/mol, XLogP of 8.33, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide is sourced from PubChem (CID 159166625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).