2-nonylpyrimidine

C13H22N2 — CID 23297050

IUPAC2-nonylpyrimidine
SMILESCCCCCCCCCc1ncccn1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13/h9,11-12H,2-8,10H2,1H3
InChIKeyCAVZEBXZEVQIFA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds8

About 2-nonylpyrimidine

2-nonylpyrimidine (PubChem CID 23297050) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-nonylpyrimidine.

Molecular Properties

Compound Name2-nonylpyrimidine
PubChem CID23297050
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-nonylpyrimidine
SMILESCCCCCCCCCc1ncccn1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13/h9,11-12H,2-8,10H2,1H3
InChIKeyCAVZEBXZEVQIFA-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.77
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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Related Compounds

2-dodecylpyrimidine;methane
CID 174491203
2-hexyl-1,3,5-diazaphosphinine
CID 174848227
2-(6-chlorohexyl)pyrimidine
CID 19872177
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
5-bromo-2-hexylpyrimidine
CID 122446219
3-heptyl-2-methylpyridine
CID 134369519
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
2-chloro-3-dodecylpyridine
CID 54546812
2-dodecyl-3-ethylpyridine
CID 160514040
3-dodecyl-2-methylpyridine;hydrochloride
CID 175157533
2-methyl-3-tetradecylpyridine;hydrobromide
CID 175265585
2-chloro-3-hexylpyridine
CID 54056214

Frequently Asked Questions

What is the IUPAC name of 2-nonylpyrimidine?
The IUPAC name of 2-nonylpyrimidine (CID 23297050) is 2-nonylpyrimidine.
What is the SMILES notation for 2-nonylpyrimidine?
The canonical SMILES for 2-nonylpyrimidine is CCCCCCCCCc1ncccn1.
What is the InChIKey of 2-nonylpyrimidine?
The InChIKey is CAVZEBXZEVQIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-6-7-8-10-13-14-11-9-12-15-13/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 2-nonylpyrimidine?
2-nonylpyrimidine has a molecular weight of 206.33 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylpyrimidine is sourced from PubChem (CID 23297050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).