5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine

C15H28N4O — CID 83189627

IUPAC5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCOCCN(C)c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H28N4O/c1-7-20-9-8-19(6)14-16-10-13(12(2)18-14)11-17-15(3,4)5/h10,17H,7-9,11H2,1-6H3
InChIKeyCHEMGJNNPVDETL-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.15
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine

5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 83189627) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
PubChem CID83189627
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCOCCN(C)c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C15H28N4O/c1-7-20-9-8-19(6)14-16-10-13(12(2)18-14)11-17-15(3,4)5/h10,17H,7-9,11H2,1-6H3
InChIKeyCHEMGJNNPVDETL-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine (CID 83189627) is 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine is CCOCCN(C)c1ncc(CNC(C)(C)C)c(C)n1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is CHEMGJNNPVDETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-20-9-8-19(6)14-16-10-13(12(2)18-14)11-17-15(3,4)5/h10,17H,7-9,11H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine?
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83189627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).