6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine

C14H15N3O — CID 112559904

IUPAC6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine
SMILESC/C=C/COc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-2-3-9-18-13-10-12(15)16-14(17-13)11-7-5-4-6-8-11/h2-8,10H,9H2,1H3,(H2,15,16,17)/b3-2+
InChIKeyGLWBANPKIWUAIX-NSCUHMNNSA-N
MW241.29 g/mol
LogP2.68
Rot. Bonds4

About 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine

6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine (PubChem CID 112559904) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine
PubChem CID112559904
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine
SMILESC/C=C/COc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O/c1-2-3-9-18-13-10-12(15)16-14(17-13)11-7-5-4-6-8-11/h2-8,10H,9H2,1H3,(H2,15,16,17)/b3-2+
InChIKeyGLWBANPKIWUAIX-NSCUHMNNSA-N
XLogP2.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine (CID 112559904) is 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine is C/C=C/COc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine?
The InChIKey is GLWBANPKIWUAIX-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-3-9-18-13-10-12(15)16-14(17-13)11-7-5-4-6-8-11/h2-8,10H,9H2,1H3,(H2,15,16,17)/b3-2+.
What are the key properties of 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine?
6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine has a molecular weight of 241.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enoxy]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).