6-(1-ethoxyethenyl)pyrimidin-4-amine

C8H11N3O — CID 58167359

IUPAC6-(1-ethoxyethenyl)pyrimidin-4-amine
SMILESC=C(OCC)c1cc(N)ncn1
InChIInChI=1S/C8H11N3O/c1-3-12-6(2)7-4-8(9)11-5-10-7/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChIKeyZFFIWBABZKFNJK-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.07
Rot. Bonds3

About 6-(1-ethoxyethenyl)pyrimidin-4-amine

6-(1-ethoxyethenyl)pyrimidin-4-amine (PubChem CID 58167359) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-(1-ethoxyethenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethoxyethenyl)pyrimidin-4-amine
PubChem CID58167359
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-(1-ethoxyethenyl)pyrimidin-4-amine
SMILESC=C(OCC)c1cc(N)ncn1
InChIInChI=1S/C8H11N3O/c1-3-12-6(2)7-4-8(9)11-5-10-7/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChIKeyZFFIWBABZKFNJK-UHFFFAOYSA-N
XLogP1.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-(1-ethoxyethenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethenyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-ethoxyethenyl)pyrimidin-4-amine (CID 58167359) is 6-(1-ethoxyethenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethoxyethenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-ethoxyethenyl)pyrimidin-4-amine is C=C(OCC)c1cc(N)ncn1.
What is the InChIKey of 6-(1-ethoxyethenyl)pyrimidin-4-amine?
The InChIKey is ZFFIWBABZKFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-12-6(2)7-4-8(9)11-5-10-7/h4-5H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 6-(1-ethoxyethenyl)pyrimidin-4-amine?
6-(1-ethoxyethenyl)pyrimidin-4-amine has a molecular weight of 165.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethenyl)pyrimidin-4-amine is sourced from PubChem (CID 58167359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).