2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine

C42H67N7 — CID 159133858

IUPAC2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
SMILESCc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C)c(C(C)C)nc1C.Cc1nc(C)c(C)c(C(C)C)n1.Cc1nnc(C(C)C)c(C)c1C
InChIInChI=1S/C12H19N.3C10H16N2/c1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-9(5)11-7(3)8(4)12-10;1-6(2)10-7(3)8(4)11-9(5)12-10;1-6(2)10-8(4)7(3)9(5)11-12-10/h7H,1-6H3;3*6H,1-5H3
InChIKeyKHFRXEACJIJOCN-UHFFFAOYSA-N
MW670.05 g/mol
LogP11.01
Rot. Bonds4

About 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine

2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine (PubChem CID 159133858) has the molecular formula C42H67N7 and a molecular weight of 670.05 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
PubChem CID159133858
Molecular FormulaC42H67N7
Molecular Weight670.05 g/mol
Exact Mass669.55
IUPAC Name2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
SMILESCc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C)c(C(C)C)nc1C.Cc1nc(C)c(C)c(C(C)C)n1.Cc1nnc(C(C)C)c(C)c1C
InChIInChI=1S/C12H19N.3C10H16N2/c1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-9(5)11-7(3)8(4)12-10;1-6(2)10-7(3)8(4)11-9(5)12-10;1-6(2)10-8(4)7(3)9(5)11-12-10/h7H,1-6H3;3*6H,1-5H3
InChIKeyKHFRXEACJIJOCN-UHFFFAOYSA-N
XLogP11.01
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.05
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
The IUPAC name of 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine (CID 159133858) is 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine is Cc1nc(C(C)C)c(C)c(C)c1C.Cc1nc(C)c(C(C)C)nc1C.Cc1nc(C)c(C)c(C(C)C)n1.Cc1nnc(C(C)C)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
The InChIKey is KHFRXEACJIJOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.3C10H16N2/c1-7(2)12-10(5)8(3)9(4)11(6)13-12;1-6(2)10-9(5)11-7(3)8(4)12-10;1-6(2)10-7(3)8(4)11-9(5)12-10;1-6(2)10-8(4)7(3)9(5)11-12-10/h7H,1-6H3;3*6H,1-5H3.
What are the key properties of 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine?
2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine has a molecular weight of 670.05 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 159133858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).