2-(6-ethoxypyrimidin-4-yl)ethanimidamide

C8H12N4O — CID 83875449

IUPAC2-(6-ethoxypyrimidin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(OCC)ncn1
InChIInChI=1S/C8H12N4O/c1-2-13-8-4-6(3-7(9)10)11-5-12-8/h4-5H,2-3H2,1H3,(H3,9,10)
InChIKeyUQTQMNXQBPQFPD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.35
Rot. Bonds4

About 2-(6-ethoxypyrimidin-4-yl)ethanimidamide

2-(6-ethoxypyrimidin-4-yl)ethanimidamide (PubChem CID 83875449) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(6-ethoxypyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(6-ethoxypyrimidin-4-yl)ethanimidamide
PubChem CID83875449
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(6-ethoxypyrimidin-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(OCC)ncn1
InChIInChI=1S/C8H12N4O/c1-2-13-8-4-6(3-7(9)10)11-5-12-8/h4-5H,2-3H2,1H3,(H3,9,10)
InChIKeyUQTQMNXQBPQFPD-UHFFFAOYSA-N
XLogP0.35
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxypyrimidin-4-yl)ethanimidamide?
The IUPAC name of 2-(6-ethoxypyrimidin-4-yl)ethanimidamide (CID 83875449) is 2-(6-ethoxypyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for 2-(6-ethoxypyrimidin-4-yl)ethanimidamide?
The canonical SMILES for 2-(6-ethoxypyrimidin-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cc(OCC)ncn1.
What is the InChIKey of 2-(6-ethoxypyrimidin-4-yl)ethanimidamide?
The InChIKey is UQTQMNXQBPQFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-13-8-4-6(3-7(9)10)11-5-12-8/h4-5H,2-3H2,1H3,(H3,9,10).
What are the key properties of 2-(6-ethoxypyrimidin-4-yl)ethanimidamide?
2-(6-ethoxypyrimidin-4-yl)ethanimidamide has a molecular weight of 180.21 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxypyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 83875449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).