5-bromo-2-hexylpyrimidine

C10H15BrN2 — CID 122446219

IUPAC5-bromo-2-hexylpyrimidine
SMILESCCCCCCc1ncc(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h7-8H,2-6H2,1H3
InChIKeyPXRIJKCIDCSJIS-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.36
Rot. Bonds5

About 5-bromo-2-hexylpyrimidine

5-bromo-2-hexylpyrimidine (PubChem CID 122446219) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-bromo-2-hexylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-hexylpyrimidine
PubChem CID122446219
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-bromo-2-hexylpyrimidine
SMILESCCCCCCc1ncc(Br)cn1
InChIInChI=1S/C10H15BrN2/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h7-8H,2-6H2,1H3
InChIKeyPXRIJKCIDCSJIS-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.36
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-nonylpyrimidine
CID 23297050
2-hexyl-1,3,5-diazaphosphinine
CID 174848227
2-dodecylpyrimidine;methane
CID 174491203
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
2-heptyl-5-[4-(5-heptylpyrimidin-2-yl)phenyl]pyrimidine
CID 102295566
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
5-bromo-2-undecyl-1,3-thiazole
CID 147585581
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
5-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2-octylpyrimidine
CID 59194506
5-(3-fluoro-4-heptylphenyl)-2-heptylpyrimidine
CID 19008446
5-[2-bromo-3-[2-(4-pentylphenyl)ethyl]phenyl]-2-pentylpyrimidine
CID 54313065

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hexylpyrimidine?
The IUPAC name of 5-bromo-2-hexylpyrimidine (CID 122446219) is 5-bromo-2-hexylpyrimidine.
What is the SMILES notation for 5-bromo-2-hexylpyrimidine?
The canonical SMILES for 5-bromo-2-hexylpyrimidine is CCCCCCc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-hexylpyrimidine?
The InChIKey is PXRIJKCIDCSJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-2-hexylpyrimidine?
5-bromo-2-hexylpyrimidine has a molecular weight of 243.15 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hexylpyrimidine is sourced from PubChem (CID 122446219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).