3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine

C77H80ClN11O6 — CID 159477587

IUPAC3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine
SMILESCOc1c(C)cc(-c2cccc(C)n2)cc1C.COc1ccc(-c2ccc(Cl)nn2)cc1C.COc1ccc(-c2cnccn2)cc1C.COc1ccc(-c2nccc(C)n2)cc1C.COc1ccc(-c2ncccc2N)cc1C.COc1ccc(-c2ncccn2)cc1C
InChIInChI=1S/C15H17NO.2C13H14N2O.C12H11ClN2O.2C12H12N2O/c1-10-8-13(9-11(2)15(10)17-4)14-7-5-6-12(3)16-14;1-9-8-11(4-5-12(9)16-3)13-14-7-6-10(2)15-13;1-9-8-10(5-6-12(9)16-2)13-11(14)4-3-7-15-13;1-8-7-9(3-5-11(8)16-2)10-4-6-12(13)15-14-10;1-9-8-10(4-5-11(9)15-2)12-13-6-3-7-14-12;1-9-7-10(3-4-12(9)15-2)11-8-13-5-6-14-11/h5-9H,1-4H3;4-8H,1-3H3;3-8H,14H2,1-2H3;3-7H,1-2H3;2*3-8H,1-2H3
InChIKeyLWOUHLUKTCASFP-UHFFFAOYSA-N
MW1291.01 g/mol
LogP17.13
Rot. Bonds12

About 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine

3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine (PubChem CID 159477587) has the molecular formula C77H80ClN11O6 and a molecular weight of 1291.01 g/mol. Its IUPAC name is 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine
PubChem CID159477587
Molecular FormulaC77H80ClN11O6
Molecular Weight1291.01 g/mol
Exact Mass1289.60
IUPAC Name3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine
SMILESCOc1c(C)cc(-c2cccc(C)n2)cc1C.COc1ccc(-c2ccc(Cl)nn2)cc1C.COc1ccc(-c2cnccn2)cc1C.COc1ccc(-c2nccc(C)n2)cc1C.COc1ccc(-c2ncccc2N)cc1C.COc1ccc(-c2ncccn2)cc1C
InChIInChI=1S/C15H17NO.2C13H14N2O.C12H11ClN2O.2C12H12N2O/c1-10-8-13(9-11(2)15(10)17-4)14-7-5-6-12(3)16-14;1-9-8-11(4-5-12(9)16-3)13-14-7-6-10(2)15-13;1-9-8-10(5-6-12(9)16-2)13-11(14)4-3-7-15-13;1-8-7-9(3-5-11(8)16-2)10-4-6-12(13)15-14-10;1-9-8-10(4-5-11(9)15-2)12-13-6-3-7-14-12;1-9-7-10(3-4-12(9)15-2)11-8-13-5-6-14-11/h5-9H,1-4H3;4-8H,1-3H3;3-8H,14H2,1-2H3;3-7H,1-2H3;2*3-8H,1-2H3
InChIKeyLWOUHLUKTCASFP-UHFFFAOYSA-N
XLogP17.13
TPSA210.30 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.01
LogP ≤ 517.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine with MolForge

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Related Compounds

6-chloro-N-[(2-ethyl-4-pyridinyl)methyl]-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
CID 134145381
US11420970, Example 181
CID 156073161
US11420970, Example 213
CID 156073466
US11420970, Example 211
CID 156073462
2-(4-Chlorophenoxy)-3-(4-methoxy-3-pyridinyl)pyridine;4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrimidine;4-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,5-naphthyridine;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrazolo[1,5-a]pyridine;8-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrido[3,4-b]pyrazine
CID 157210022
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073
4-Ethyl-2-(4-methoxy-3-methylphenyl)pyrimidine;2-ethyl-6-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine;2-(4-methoxy-3-methylphenyl)-6-methylpyridin-3-amine;2-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 157931606
Benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene
CID 158022848
1-Chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
CID 158212558
1-Chloro-3-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;2,6-difluoro-3-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-4-methyl-5-propan-2-ylpyridine;5-fluoro-3-methyl-2-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-isocyano-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol;2-propan-2-yl-5-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
CID 158548710
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chlorophenyl)-6-ethylpyrimidin-2-amine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(5-fluoro-2-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-pyridin-2-ylpyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 160061861
5-Azido-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-6-propan-2-ylpyridine);1-methyl-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(5-propan-2-yl-3-pyridinyl)ethenamine;5-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 161124713

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine?
The IUPAC name of 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine (CID 159477587) is 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine.
What is the SMILES notation for 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine?
The canonical SMILES for 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine is COc1c(C)cc(-c2cccc(C)n2)cc1C.COc1ccc(-c2ccc(Cl)nn2)cc1C.COc1ccc(-c2cnccn2)cc1C.COc1ccc(-c2nccc(C)n2)cc1C.COc1ccc(-c2ncccc2N)cc1C.COc1ccc(-c2ncccn2)cc1C.
What is the InChIKey of 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine?
The InChIKey is LWOUHLUKTCASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.2C13H14N2O.C12H11ClN2O.2C12H12N2O/c1-10-8-13(9-11(2)15(10)17-4)14-7-5-6-12(3)16-14;1-9-8-11(4-5-12(9)16-3)13-14-7-6-10(2)15-13;1-9-8-10(5-6-12(9)16-2)13-11(14)4-3-7-15-13;1-8-7-9(3-5-11(8)16-2)10-4-6-12(13)15-14-10;1-9-8-10(4-5-11(9)15-2)12-13-6-3-7-14-12;1-9-7-10(3-4-12(9)15-2)11-8-13-5-6-14-11/h5-9H,1-4H3;4-8H,1-3H3;3-8H,14H2,1-2H3;3-7H,1-2H3;2*3-8H,1-2H3.
What are the key properties of 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine?
3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine has a molecular weight of 1291.01 g/mol, XLogP of 17.13, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-methoxy-3-methylphenyl)pyridazine;2-(4-methoxy-3,5-dimethylphenyl)-6-methylpyridine;2-(4-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(4-methoxy-3-methylphenyl)pyrazine;2-(4-methoxy-3-methylphenyl)pyridin-3-amine;2-(4-methoxy-3-methylphenyl)pyrimidine is sourced from PubChem (CID 159477587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).