N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine

C9H15N3O — CID 63206105

IUPACN-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine
SMILESCCNCCOc1ncc(C)cn1
InChIInChI=1S/C9H15N3O/c1-3-10-4-5-13-9-11-6-8(2)7-12-9/h6-7,10H,3-5H2,1-2H3
InChIKeyHZFADTNOJOVYNC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.77
Rot. Bonds5

About N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine

N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine (PubChem CID 63206105) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine
PubChem CID63206105
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine
SMILESCCNCCOc1ncc(C)cn1
InChIInChI=1S/C9H15N3O/c1-3-10-4-5-13-9-11-6-8(2)7-12-9/h6-7,10H,3-5H2,1-2H3
InChIKeyHZFADTNOJOVYNC-UHFFFAOYSA-N
XLogP0.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine?
The IUPAC name of N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine (CID 63206105) is N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine.
What is the SMILES notation for N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine?
The canonical SMILES for N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine is CCNCCOc1ncc(C)cn1.
What is the InChIKey of N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine?
The InChIKey is HZFADTNOJOVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-10-4-5-13-9-11-6-8(2)7-12-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine?
N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methylpyrimidin-2-yl)oxyethanamine is sourced from PubChem (CID 63206105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).