5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine

C14H23BrN2O — CID 114205699

IUPAC5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine
SMILESCCOC(CC)(CC)c1ncc(CBr)c(CC)n1
InChIInChI=1S/C14H23BrN2O/c1-5-12-11(9-15)10-16-13(17-12)14(6-2,7-3)18-8-4/h10H,5-9H2,1-4H3
InChIKeyLWPFGGNPFPWPPO-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.99
Rot. Bonds7

About 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine

5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine (PubChem CID 114205699) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine
PubChem CID114205699
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine
SMILESCCOC(CC)(CC)c1ncc(CBr)c(CC)n1
InChIInChI=1S/C14H23BrN2O/c1-5-12-11(9-15)10-16-13(17-12)14(6-2,7-3)18-8-4/h10H,5-9H2,1-4H3
InChIKeyLWPFGGNPFPWPPO-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
CID 130483336
N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778844
2-(3-ethoxypentan-3-yl)pyrimidine-4-carbaldehyde
CID 116778368
5-(bromomethyl)-2-(4-ethoxyoxan-4-yl)-4-ethylpyrimidine
CID 114205724
5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine
CID 116746381
2-(3-ethoxypentan-3-yl)pyrimidine-4-carboxylic acid
CID 116778924
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
CID 116782789
5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
CID 155756934
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780621
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116776475
6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
CID 116775612

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine (CID 114205699) is 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine is CCOC(CC)(CC)c1ncc(CBr)c(CC)n1.
What is the InChIKey of 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine?
The InChIKey is LWPFGGNPFPWPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-5-12-11(9-15)10-16-13(17-12)14(6-2,7-3)18-8-4/h10H,5-9H2,1-4H3.
What are the key properties of 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine?
5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine has a molecular weight of 315.26 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-ethoxypentan-3-yl)-4-ethylpyrimidine is sourced from PubChem (CID 114205699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).