4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole

C77H93F3N18O4S — CID 159382977

IUPAC4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCOc1cccc(C)n1.CCc1ncccc1C.COc1ccnnc1C.Cc1cccnc1-c1cnn(C)c1.Cc1cccnc1-c1ncco1.Cc1cccnc1CC(C)C.Cc1cccnc1OCc1cscn1.Cc1cncnc1C.Cc1ncccn1.Cn1nccc1C(F)(F)F
InChIInChI=1S/C10H11N3.C10H10N2OS.C10H15N.C9H8N2O.C8H11NO.C8H11N.C6H8N2O.C6H8N2.C5H5F3N2.C5H6N2/c1-8-4-3-5-11-10(8)9-6-12-13(2)7-9;1-8-3-2-4-11-10(8)13-5-9-6-14-7-12-9;1-8(2)7-10-9(3)5-4-6-11-10;1-7-3-2-4-10-8(7)9-11-5-6-12-9;1-3-10-8-6-4-5-7(2)9-8;1-3-8-7(2)5-4-6-9-8;1-5-6(9-2)3-4-7-8-5;1-5-3-7-4-8-6(5)2;1-10-4(2-3-9-10)5(6,7)8;1-5-6-3-2-4-7-5/h3-7H,1-2H3;2-4,6-7H,5H2,1H3;4-6,8H,7H2,1-3H3;2-6H,1H3;4-6H,3H2,1-2H3;4-6H,3H2,1-2H3;3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3
InChIKeyLLDLEPYYIBGUKO-UHFFFAOYSA-N
MW1423.77 g/mol
LogP16.70
Rot. Bonds11

About 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole

4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 159382977) has the molecular formula C77H93F3N18O4S and a molecular weight of 1423.77 g/mol. Its IUPAC name is 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID159382977
Molecular FormulaC77H93F3N18O4S
Molecular Weight1423.77 g/mol
Exact Mass1422.73
IUPAC Name4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCOc1cccc(C)n1.CCc1ncccc1C.COc1ccnnc1C.Cc1cccnc1-c1cnn(C)c1.Cc1cccnc1-c1ncco1.Cc1cccnc1CC(C)C.Cc1cccnc1OCc1cscn1.Cc1cncnc1C.Cc1ncccn1.Cn1nccc1C(F)(F)F
InChIInChI=1S/C10H11N3.C10H10N2OS.C10H15N.C9H8N2O.C8H11NO.C8H11N.C6H8N2O.C6H8N2.C5H5F3N2.C5H6N2/c1-8-4-3-5-11-10(8)9-6-12-13(2)7-9;1-8-3-2-4-11-10(8)13-5-9-6-14-7-12-9;1-8(2)7-10-9(3)5-4-6-11-10;1-7-3-2-4-10-8(7)9-11-5-6-12-9;1-3-10-8-6-4-5-7(2)9-8;1-3-8-7(2)5-4-6-9-8;1-5-6(9-2)3-4-7-8-5;1-5-3-7-4-8-6(5)2;1-10-4(2-3-9-10)5(6,7)8;1-5-6-3-2-4-7-5/h3-7H,1-2H3;2-4,6-7H,5H2,1H3;4-6,8H,7H2,1-3H3;2-6H,1H3;4-6H,3H2,1-2H3;4-6H,3H2,1-2H3;3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3
InChIKeyLLDLEPYYIBGUKO-UHFFFAOYSA-N
XLogP16.70
TPSA256.93 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.77
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole (CID 159382977) is 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole is CCOc1cccc(C)n1.CCc1ncccc1C.COc1ccnnc1C.Cc1cccnc1-c1cnn(C)c1.Cc1cccnc1-c1ncco1.Cc1cccnc1CC(C)C.Cc1cccnc1OCc1cscn1.Cc1cncnc1C.Cc1ncccn1.Cn1nccc1C(F)(F)F.
What is the InChIKey of 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is LLDLEPYYIBGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C10H10N2OS.C10H15N.C9H8N2O.C8H11NO.C8H11N.C6H8N2O.C6H8N2.C5H5F3N2.C5H6N2/c1-8-4-3-5-11-10(8)9-6-12-13(2)7-9;1-8-3-2-4-11-10(8)13-5-9-6-14-7-12-9;1-8(2)7-10-9(3)5-4-6-11-10;1-7-3-2-4-10-8(7)9-11-5-6-12-9;1-3-10-8-6-4-5-7(2)9-8;1-3-8-7(2)5-4-6-9-8;1-5-6(9-2)3-4-7-8-5;1-5-3-7-4-8-6(5)2;1-10-4(2-3-9-10)5(6,7)8;1-5-6-3-2-4-7-5/h3-7H,1-2H3;2-4,6-7H,5H2,1H3;4-6,8H,7H2,1-3H3;2-6H,1H3;4-6H,3H2,1-2H3;4-6H,3H2,1-2H3;3-4H,1-2H3;3-4H,1-2H3;2-3H,1H3;2-4H,1H3.
What are the key properties of 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole?
4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 1423.77 g/mol, XLogP of 16.70, 11 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159382977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).