4-hexyl-2,6-dimethylpyrimidine

C12H20N2 — CID 58281701

IUPAC4-hexyl-2,6-dimethylpyrimidine
SMILESCCCCCCc1cc(C)nc(C)n1
InChIInChI=1S/C12H20N2/c1-4-5-6-7-8-12-9-10(2)13-11(3)14-12/h9H,4-8H2,1-3H3
InChIKeyCKATUAYFMYFPMI-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.22
Rot. Bonds5

About 4-hexyl-2,6-dimethylpyrimidine

4-hexyl-2,6-dimethylpyrimidine (PubChem CID 58281701) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-hexyl-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-hexyl-2,6-dimethylpyrimidine
PubChem CID58281701
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-hexyl-2,6-dimethylpyrimidine
SMILESCCCCCCc1cc(C)nc(C)n1
InChIInChI=1S/C12H20N2/c1-4-5-6-7-8-12-9-10(2)13-11(3)14-12/h9H,4-8H2,1-3H3
InChIKeyCKATUAYFMYFPMI-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,6-dimethylpyrimidine?
The IUPAC name of 4-hexyl-2,6-dimethylpyrimidine (CID 58281701) is 4-hexyl-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-hexyl-2,6-dimethylpyrimidine?
The canonical SMILES for 4-hexyl-2,6-dimethylpyrimidine is CCCCCCc1cc(C)nc(C)n1.
What is the InChIKey of 4-hexyl-2,6-dimethylpyrimidine?
The InChIKey is CKATUAYFMYFPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-6-7-8-12-9-10(2)13-11(3)14-12/h9H,4-8H2,1-3H3.
What are the key properties of 4-hexyl-2,6-dimethylpyrimidine?
4-hexyl-2,6-dimethylpyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,6-dimethylpyrimidine is sourced from PubChem (CID 58281701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).