4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

C43H71N9O2 — CID 158359964

About 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine (PubChem CID 158359964) has the molecular formula C43H71N9O2 and a molecular weight of 746.10 g/mol. Its IUPAC name is 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
• PubChem CID: 158359964
• Molecular Formula: C43H71N9O2
• Molecular Weight: 746.10 g/mol
• Exact Mass: 745.57
• IUPAC Name: 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
• SMILES: CC(C)C1CCOCC1.CC(C)N1CCOCC1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ncncn1
• InChI: InChI=1S/C8H11N.C8H16O.2C7H10N2.C7H15NO.C6H9N3/c2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-8-3-7-4-9-6/h3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3
• InChIKey: GTISHLMMXCAHSO-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 124.82 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	746.10
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

The IUPAC name of 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine (CID 158359964) is 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine.

What is the SMILES notation for 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

The canonical SMILES for 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine is CC(C)C1CCOCC1.CC(C)N1CCOCC1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ncncn1.

What is the InChIKey of 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

The InChIKey is GTISHLMMXCAHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C8H16O.2C7H10N2.C7H15NO.C6H9N3/c2*1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-7(2)8-3-5-9-6-4-8;1-5(2)6-8-3-7-4-9-6/h3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;7H,3-6H2,1-2H3;3-5H,1-2H3.

What are the key properties of 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?

4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine has a molecular weight of 746.10 g/mol, XLogP of 9.20, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-ylmorpholine;4-propan-2-yloxane;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 158359964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).