cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole

C160H287N25O2S — CID 163914731

About cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole

cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole (PubChem CID 163914731) has the molecular formula C160H287N25O2S and a molecular weight of 2625.30 g/mol. Its IUPAC name is cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole.

Molecular Properties

• Compound Name: cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole
• PubChem CID: 163914731
• Molecular Formula: C160H287N25O2S
• Molecular Weight: 2625.30 g/mol
• Exact Mass: 2623.28
• IUPAC Name: cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole
• SMILES: C=C1C=CN(C(C)C)C=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/2C9H12.C8H12N2.4C8H11N.2C7H10N2.3C7H11N.C6H10N2O.C6H10N2S.2C6H10N2.C6H9NO.C5H9N3.16C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)10-5-4-8(3)9-6-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-7(2)8-5-3-4-6-8;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-3-6-7-8;16*1-2/h2*3-8H,1-2H3;4-7H,3H2,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3*3-7H,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;16*1-2H3
• InChIKey: QVFYWPXMVMHTSW-UHFFFAOYSA-N
• XLogP: 51.09
• TPSA: 290.59 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.30
LogP ≤ 5	51.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

The IUPAC name of cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole (CID 163914731) is cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole.

What is the SMILES notation for cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

The canonical SMILES for cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole is C=C1C=CN(C(C)C)C=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

The InChIKey is QVFYWPXMVMHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.C8H12N2.4C8H11N.2C7H10N2.3C7H11N.C6H10N2O.C6H10N2S.2C6H10N2.C6H9NO.C5H9N3.16C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)10-5-4-8(3)9-6-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-7(2)8-5-3-4-6-8;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-3-6-7-8;16*1-2/h2*3-8H,1-2H3;4-7H,3H2,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3*3-7H,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;16*1-2H3.

What are the key properties of cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole has a molecular weight of 2625.30 g/mol, XLogP of 51.09, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole is sourced from PubChem (CID 163914731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).