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

C32H38Cl5N7O4 — CID 157058286

IUPAC2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methylbenzamide;2,4,5-trichloropyrimidine
SMILESCCN(C(C)C)C(C)C.CNC(=O)c1ccccc1O.CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Cl.Clc1ncc(Cl)c(Cl)n1
InChIInChI=1S/C12H9Cl2N3O2.C8H9NO2.C8H19N.C4HCl3N2/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11;1-9-8(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,15,18);2-5,10H,1H3,(H,9,11);7-8H,6H2,1-5H3;1H
InChIKeyAAZYYTLYEUBIBT-UHFFFAOYSA-N
MW761.97 g/mol
LogP8.25
Rot. Bonds7

About 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

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 (PubChem CID 157058286) has the molecular formula C32H38Cl5N7O4 and a molecular weight of 761.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methylbenzamide;2,4,5-trichloropyrimidine
PubChem CID157058286
Molecular FormulaC32H38Cl5N7O4
Molecular Weight761.97 g/mol
Exact Mass759.14
IUPAC Name2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methylbenzamide;2,4,5-trichloropyrimidine
SMILESCCN(C(C)C)C(C)C.CNC(=O)c1ccccc1O.CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Cl.Clc1ncc(Cl)c(Cl)n1
InChIInChI=1S/C12H9Cl2N3O2.C8H9NO2.C8H19N.C4HCl3N2/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11;1-9-8(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,15,18);2-5,10H,1H3,(H,9,11);7-8H,6H2,1-5H3;1H
InChIKeyAAZYYTLYEUBIBT-UHFFFAOYSA-N
XLogP8.25
TPSA142.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 58.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
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
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
CID 145025563
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-[(3,4-dichlorophenyl)methoxy]-N-methylbenzamide
CID 13073632
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
CID 144987523
2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
CID 123279276
2-methoxy-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
CID 11668575

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(C)C)C(C)C.CNC(=O)c1ccccc1O.CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Cl.Clc1ncc(Cl)c(Cl)n1.
What is the InChIKey of 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?
The InChIKey is AAZYYTLYEUBIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2.C8H9NO2.C8H19N.C4HCl3N2/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11;1-9-8(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,15,18);2-5,10H,1H3,(H,9,11);7-8H,6H2,1-5H3;1H.
What are the key properties of 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?
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 has a molecular weight of 761.97 g/mol, XLogP of 8.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157058286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).