2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene

C119H150N14O9S2 — CID 158347216

IUPAC2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCC(=O)c1ccccc1.COc1cc(C)nc(OC)n1.COc1ccc(C)cc1.COc1cccc(C)c1.COc1ccccc1C.COc1cnc(C)nc1.Cc1cc(C)nc(C)n1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1ccccn1.Cc1ccnc(C)n1.Cc1cnn(-c2ccccc2)c1.Cc1coc(C)c1.Cc1coc(C)c1C.Cc1nccs1.Cc1nnc(C)s1
InChIInChI=1S/C10H10N2.3C8H10O.C8H8O.3C8H10.C7H10N2O2.C7H10N2.C7H10O.C6H8N2O.C6H8N2.C6H7N.C6H8O.C4H6N2S.C4H5NS/c1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;1-7(9)8-5-3-2-4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-4-6(10-2)9-7(8-5)11-3;1-5-4-6(2)9-7(3)8-5;1-5-4-8-7(3)6(5)2;1-5-7-3-6(9-2)4-8-5;1-5-3-4-7-6(2)8-5;1-6-4-2-3-5-7-6;1-5-3-6(2)7-4-5;1-3-5-6-4(2)7-3;1-4-5-2-3-6-4/h2-8H,1H3;3*3-6H,1-2H3;2-6H,1H3;3*3-6H,1-2H3;4H,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-4H,1-2H3;1-2H3;2-3H,1H3
InChIKeyGRWMEFDJIFYPFR-UHFFFAOYSA-N
MW1984.73 g/mol
LogP29.18
Rot. Bonds8

About 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene

2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 158347216) has the molecular formula C119H150N14O9S2 and a molecular weight of 1984.73 g/mol. Its IUPAC name is 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID158347216
Molecular FormulaC119H150N14O9S2
Molecular Weight1984.73 g/mol
Exact Mass1983.12
IUPAC Name2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCC(=O)c1ccccc1.COc1cc(C)nc(OC)n1.COc1ccc(C)cc1.COc1cccc(C)c1.COc1ccccc1C.COc1cnc(C)nc1.Cc1cc(C)nc(C)n1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1ccccn1.Cc1ccnc(C)n1.Cc1cnn(-c2ccccc2)c1.Cc1coc(C)c1.Cc1coc(C)c1C.Cc1nccs1.Cc1nnc(C)s1
InChIInChI=1S/C10H10N2.3C8H10O.C8H8O.3C8H10.C7H10N2O2.C7H10N2.C7H10O.C6H8N2O.C6H8N2.C6H7N.C6H8O.C4H6N2S.C4H5NS/c1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;1-7(9)8-5-3-2-4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-4-6(10-2)9-7(8-5)11-3;1-5-4-6(2)9-7(3)8-5;1-5-4-8-7(3)6(5)2;1-5-7-3-6(9-2)4-8-5;1-5-3-4-7-6(2)8-5;1-6-4-2-3-5-7-6;1-5-3-6(2)7-4-5;1-3-5-6-4(2)7-3;1-4-5-2-3-6-4/h2-8H,1H3;3*3-6H,1-2H3;2-6H,1H3;3*3-6H,1-2H3;4H,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-4H,1-2H3;1-2H3;2-3H,1H3
InChIKeyGRWMEFDJIFYPFR-UHFFFAOYSA-N
XLogP29.18
TPSA271.23 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds8
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.73
LogP ≤ 529.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene (CID 158347216) is 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene is CC(=O)c1ccccc1.COc1cc(C)nc(OC)n1.COc1ccc(C)cc1.COc1cccc(C)c1.COc1ccccc1C.COc1cnc(C)nc1.Cc1cc(C)nc(C)n1.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1ccccn1.Cc1ccnc(C)n1.Cc1cnn(-c2ccccc2)c1.Cc1coc(C)c1.Cc1coc(C)c1C.Cc1nccs1.Cc1nnc(C)s1.
What is the InChIKey of 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is GRWMEFDJIFYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.3C8H10O.C8H8O.3C8H10.C7H10N2O2.C7H10N2.C7H10O.C6H8N2O.C6H8N2.C6H7N.C6H8O.C4H6N2S.C4H5NS/c1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;1-7(9)8-5-3-2-4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-5-4-6(10-2)9-7(8-5)11-3;1-5-4-6(2)9-7(3)8-5;1-5-4-8-7(3)6(5)2;1-5-7-3-6(9-2)4-8-5;1-5-3-4-7-6(2)8-5;1-6-4-2-3-5-7-6;1-5-3-6(2)7-4-5;1-3-5-6-4(2)7-3;1-4-5-2-3-6-4/h2-8H,1H3;3*3-6H,1-2H3;2-6H,1H3;3*3-6H,1-2H3;4H,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-4H,1-2H3;1-2H3;2-3H,1H3.
What are the key properties of 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene?
2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 1984.73 g/mol, XLogP of 29.18, 8 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158347216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).