3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine

C65H83N13 — CID 165020860

IUPAC3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine
SMILESCc1cc(C)nc(C)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1ccc2cc(C)nc(C)c2c1.Cc1ccc2nc(C)cc(C)c2c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1nc(C)nc(C)n1
InChIInChI=1S/2C12H13N.C8H11N.2C7H10N2.C7H9N.C6H9N3.C6H8N2/c1-8-4-5-11-7-9(2)13-10(3)12(11)6-8;1-8-4-5-12-11(6-8)9(2)7-10(3)13-12;1-6-4-7(2)9-8(3)5-6;2*1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;1-4-7-5(2)9-6(3)8-4;1-5-3-7-6(2)8-4-5/h2*4-7H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;3-5H,1-2H3;1-3H3;3-4H,1-2H3
InChIKeyLDDTVKAMTUAPGL-UHFFFAOYSA-N
MW1046.47 g/mol
LogP14.72
Rot. Bonds

About 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine

3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 165020860) has the molecular formula C65H83N13 and a molecular weight of 1046.47 g/mol. Its IUPAC name is 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine
PubChem CID165020860
Molecular FormulaC65H83N13
Molecular Weight1046.47 g/mol
Exact Mass1045.69
IUPAC Name3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine
SMILESCc1cc(C)nc(C)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1ccc2cc(C)nc(C)c2c1.Cc1ccc2nc(C)cc(C)c2c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1nc(C)nc(C)n1
InChIInChI=1S/2C12H13N.C8H11N.2C7H10N2.C7H9N.C6H9N3.C6H8N2/c1-8-4-5-11-7-9(2)13-10(3)12(11)6-8;1-8-4-5-12-11(6-8)9(2)7-10(3)13-12;1-6-4-7(2)9-8(3)5-6;2*1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;1-4-7-5(2)9-6(3)8-4;1-5-3-7-6(2)8-4-5/h2*4-7H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;3-5H,1-2H3;1-3H3;3-4H,1-2H3
InChIKeyLDDTVKAMTUAPGL-UHFFFAOYSA-N
XLogP14.72
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.47
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine (CID 165020860) is 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine is Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(C)n1.Cc1ccc2cc(C)nc(C)c2c1.Cc1ccc2nc(C)cc(C)c2c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1nc(C)nc(C)n1.
What is the InChIKey of 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is LDDTVKAMTUAPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C8H11N.2C7H10N2.C7H9N.C6H9N3.C6H8N2/c1-8-4-5-11-7-9(2)13-10(3)12(11)6-8;1-8-4-5-12-11(6-8)9(2)7-10(3)13-12;1-6-4-7(2)9-8(3)5-6;2*1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;1-4-7-5(2)9-6(3)8-4;1-5-3-7-6(2)8-4-5/h2*4-7H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;3-5H,1-2H3;1-3H3;3-4H,1-2H3.
What are the key properties of 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine?
3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1046.47 g/mol, XLogP of 14.72, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,3,7-trimethylisoquinoline;2,4,6-trimethylpyridine;bis(2,4,6-trimethylpyrimidine);2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 165020860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).