5-methyl-2-octylpyrimidine

C13H22N2 — CID 130279604

IUPAC5-methyl-2-octylpyrimidine
SMILESCCCCCCCCc1ncc(C)cn1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-7-8-9-13-14-10-12(2)11-15-13/h10-11H,3-9H2,1-2H3
InChIKeyNWPUZIXHIZWUAL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.69
Rot. Bonds7

About 5-methyl-2-octylpyrimidine

5-methyl-2-octylpyrimidine (PubChem CID 130279604) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-methyl-2-octylpyrimidine.

Molecular Properties

Compound Name5-methyl-2-octylpyrimidine
PubChem CID130279604
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-methyl-2-octylpyrimidine
SMILESCCCCCCCCc1ncc(C)cn1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-7-8-9-13-14-10-12(2)11-15-13/h10-11H,3-9H2,1-2H3
InChIKeyNWPUZIXHIZWUAL-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.69
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 5-methyl-2-octylpyrimidine?
The IUPAC name of 5-methyl-2-octylpyrimidine (CID 130279604) is 5-methyl-2-octylpyrimidine.
What is the SMILES notation for 5-methyl-2-octylpyrimidine?
The canonical SMILES for 5-methyl-2-octylpyrimidine is CCCCCCCCc1ncc(C)cn1.
What is the InChIKey of 5-methyl-2-octylpyrimidine?
The InChIKey is NWPUZIXHIZWUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-5-6-7-8-9-13-14-10-12(2)11-15-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-methyl-2-octylpyrimidine?
5-methyl-2-octylpyrimidine has a molecular weight of 206.33 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-octylpyrimidine is sourced from PubChem (CID 130279604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).