5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine

C15H24BrClN2O — CID 116746381

IUPAC5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine
SMILESCCOC(CC)(CC)c1nc(Cl)c(Br)c(CC(C)C)n1
InChIInChI=1S/C15H24BrClN2O/c1-6-15(7-2,20-8-3)14-18-11(9-10(4)5)12(16)13(17)19-14/h10H,6-9H2,1-5H3
InChIKeyDTPQQHDACCWTLJ-UHFFFAOYSA-N
MW363.73 g/mol
LogP5.14
Rot. Bonds7

About 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine

5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine (PubChem CID 116746381) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine
PubChem CID116746381
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC Name5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine
SMILESCCOC(CC)(CC)c1nc(Cl)c(Br)c(CC(C)C)n1
InChIInChI=1S/C15H24BrClN2O/c1-6-15(7-2,20-8-3)14-18-11(9-10(4)5)12(16)13(17)19-14/h10H,6-9H2,1-5H3
InChIKeyDTPQQHDACCWTLJ-UHFFFAOYSA-N
XLogP5.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.73
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine (CID 116746381) is 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine is CCOC(CC)(CC)c1nc(Cl)c(Br)c(CC(C)C)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is DTPQQHDACCWTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2O/c1-6-15(7-2,20-8-3)14-18-11(9-10(4)5)12(16)13(17)19-14/h10H,6-9H2,1-5H3.
What are the key properties of 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine?
5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 363.73 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 116746381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).