2-(4-ethoxypyrimidin-2-yl)oxyethanamine

C8H13N3O2 — CID 112639005

IUPAC2-(4-ethoxypyrimidin-2-yl)oxyethanamine
SMILESCCOc1ccnc(OCCN)n1
InChIInChI=1S/C8H13N3O2/c1-2-12-7-3-5-10-8(11-7)13-6-4-9/h3,5H,2,4,6,9H2,1H3
InChIKeyNKZIDKVDUXUBKT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.21
Rot. Bonds5

About 2-(4-ethoxypyrimidin-2-yl)oxyethanamine

2-(4-ethoxypyrimidin-2-yl)oxyethanamine (PubChem CID 112639005) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(4-ethoxypyrimidin-2-yl)oxyethanamine.

Molecular Properties

Compound Name2-(4-ethoxypyrimidin-2-yl)oxyethanamine
PubChem CID112639005
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(4-ethoxypyrimidin-2-yl)oxyethanamine
SMILESCCOc1ccnc(OCCN)n1
InChIInChI=1S/C8H13N3O2/c1-2-12-7-3-5-10-8(11-7)13-6-4-9/h3,5H,2,4,6,9H2,1H3
InChIKeyNKZIDKVDUXUBKT-UHFFFAOYSA-N
XLogP0.21
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypyrimidin-2-yl)oxyethanamine?
The IUPAC name of 2-(4-ethoxypyrimidin-2-yl)oxyethanamine (CID 112639005) is 2-(4-ethoxypyrimidin-2-yl)oxyethanamine.
What is the SMILES notation for 2-(4-ethoxypyrimidin-2-yl)oxyethanamine?
The canonical SMILES for 2-(4-ethoxypyrimidin-2-yl)oxyethanamine is CCOc1ccnc(OCCN)n1.
What is the InChIKey of 2-(4-ethoxypyrimidin-2-yl)oxyethanamine?
The InChIKey is NKZIDKVDUXUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-12-7-3-5-10-8(11-7)13-6-4-9/h3,5H,2,4,6,9H2,1H3.
What are the key properties of 2-(4-ethoxypyrimidin-2-yl)oxyethanamine?
2-(4-ethoxypyrimidin-2-yl)oxyethanamine has a molecular weight of 183.21 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypyrimidin-2-yl)oxyethanamine is sourced from PubChem (CID 112639005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).