5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine

C14H24BrN3O — CID 106815295

IUPAC5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(CCOCC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-16-13-11(15)12(14(3,4)5)17-10(18-13)8-9-19-7-2/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyAWDCFQGKVOISBE-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.55
Rot. Bonds6

About 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine (PubChem CID 106815295) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
PubChem CID106815295
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(CCOCC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-16-13-11(15)12(14(3,4)5)17-10(18-13)8-9-19-7-2/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyAWDCFQGKVOISBE-UHFFFAOYSA-N
XLogP3.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine (CID 106815295) is 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine is CCNc1nc(CCOCC)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine?
The InChIKey is AWDCFQGKVOISBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-6-16-13-11(15)12(14(3,4)5)17-10(18-13)8-9-19-7-2/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine has a molecular weight of 330.27 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 106815295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).