6-ethoxypyrimidin-4-amine

C6H9N3O — CID 45080513

IUPAC6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(N)ncn1
InChIInChI=1S/C6H9N3O/c1-2-10-6-3-5(7)8-4-9-6/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyUQLUVBGBWSHZDK-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.46
Rot. Bonds2

About 6-ethoxypyrimidin-4-amine

6-ethoxypyrimidin-4-amine (PubChem CID 45080513) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxypyrimidin-4-amine
PubChem CID45080513
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(N)ncn1
InChIInChI=1S/C6H9N3O/c1-2-10-6-3-5(7)8-4-9-6/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyUQLUVBGBWSHZDK-UHFFFAOYSA-N
XLogP0.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxypyrimidin-4-amine?
The IUPAC name of 6-ethoxypyrimidin-4-amine (CID 45080513) is 6-ethoxypyrimidin-4-amine.
What is the SMILES notation for 6-ethoxypyrimidin-4-amine?
The canonical SMILES for 6-ethoxypyrimidin-4-amine is CCOc1cc(N)ncn1.
What is the InChIKey of 6-ethoxypyrimidin-4-amine?
The InChIKey is UQLUVBGBWSHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-10-6-3-5(7)8-4-9-6/h3-4H,2H2,1H3,(H2,7,8,9).
What are the key properties of 6-ethoxypyrimidin-4-amine?
6-ethoxypyrimidin-4-amine has a molecular weight of 139.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 45080513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).