2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline

C50H62Br2Cl3N9O10Zn — CID 160577357

IUPAC2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
SMILESCCN(CC)CC.CNC(=O)c1cccc(OC)c1Oc1nc(Cl)ncc1Br.CNC(=O)c1cccc(OC)c1Oc1nc(Nc2cc(C)c(OC)c(OC)c2)ncc1Br.COc1cc(N)cc(C)c1OC.Cl[Zn]Cl
InChIInChI=1S/C22H23BrN4O5.C13H11BrClN3O3.C9H13NO2.C6H15N.2ClH.Zn/c1-12-9-13(10-17(30-4)18(12)31-5)26-22-25-11-15(23)21(27-22)32-19-14(20(28)24-2)7-6-8-16(19)29-3;1-16-11(19)7-4-3-5-9(20-2)10(7)21-12-8(14)6-17-13(15)18-12;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h6-11H,1-5H3,(H,24,28)(H,25,26,27);3-6H,1-2H3,(H,16,19);4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
InChIKeyRBICDSKKAALNQW-UHFFFAOYSA-L
MW1280.66 g/mol
LogP11.84
Rot. Bonds17

About 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (PubChem CID 160577357) has the molecular formula C50H62Br2Cl3N9O10Zn and a molecular weight of 1280.66 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.

Molecular Properties

Compound Name2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
PubChem CID160577357
Molecular FormulaC50H62Br2Cl3N9O10Zn
Molecular Weight1280.66 g/mol
Exact Mass1275.13
IUPAC Name2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
SMILESCCN(CC)CC.CNC(=O)c1cccc(OC)c1Oc1nc(Cl)ncc1Br.CNC(=O)c1cccc(OC)c1Oc1nc(Nc2cc(C)c(OC)c(OC)c2)ncc1Br.COc1cc(N)cc(C)c1OC.Cl[Zn]Cl
InChIInChI=1S/C22H23BrN4O5.C13H11BrClN3O3.C9H13NO2.C6H15N.2ClH.Zn/c1-12-9-13(10-17(30-4)18(12)31-5)26-22-25-11-15(23)21(27-22)32-19-14(20(28)24-2)7-6-8-16(19)29-3;1-16-11(19)7-4-3-5-9(20-2)10(7)21-12-8(14)6-17-13(15)18-12;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h6-11H,1-5H3,(H,24,28)(H,25,26,27);3-6H,1-2H3,(H,16,19);4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
InChIKeyRBICDSKKAALNQW-UHFFFAOYSA-L
XLogP11.84
TPSA224.89 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.66
LogP ≤ 511.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N,N-dimethylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N,N-dimethylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
CID 157405509
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-cyclopropylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-N-cyclopropylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
CID 161162543
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
CID 145025563
4-(2-aminophenoxy)-N-(1,3-benzodioxol-5-yl)-5-bromopyrimidin-2-amine;1,3-benzodioxol-5-amine;1-[2-[2-(1,3-benzodioxol-5-ylamino)-5-bromopyrimidin-4-yl]oxyphenyl]propan-2-one;1-[2-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]propan-2-one;dichlorozinc;N,N-diethylethanamine
CID 159813130
5-bromo-4-[(2-ethyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 118905982
3-bromo-N-[[3-(3,4-dimethoxy-5-methylanilino)-1,2,4-triazin-6-yl]-(methylamino)methyl]benzamide;ethane
CID 142948626
CID 156831484
CID 156831484
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
4-[4-[3-(diethylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-(2,6-dimethylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 69067841
N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 164626714
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?
The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline (CID 160577357) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline.
What is the SMILES notation for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?
The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is CCN(CC)CC.CNC(=O)c1cccc(OC)c1Oc1nc(Cl)ncc1Br.CNC(=O)c1cccc(OC)c1Oc1nc(Nc2cc(C)c(OC)c(OC)c2)ncc1Br.COc1cc(N)cc(C)c1OC.Cl[Zn]Cl.
What is the InChIKey of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?
The InChIKey is RBICDSKKAALNQW-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H23BrN4O5.C13H11BrClN3O3.C9H13NO2.C6H15N.2ClH.Zn/c1-12-9-13(10-17(30-4)18(12)31-5)26-22-25-11-15(23)21(27-22)32-19-14(20(28)24-2)7-6-8-16(19)29-3;1-16-11(19)7-4-3-5-9(20-2)10(7)21-12-8(14)6-17-13(15)18-12;1-6-4-7(10)5-8(11-2)9(6)12-3;1-4-7(5-2)6-3;;;/h6-11H,1-5H3,(H,24,28)(H,25,26,27);3-6H,1-2H3,(H,16,19);4-5H,10H2,1-3H3;4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline?
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline has a molecular weight of 1280.66 g/mol, XLogP of 11.84, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline is sourced from PubChem (CID 160577357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).