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

C15H17N3O — CID 112559905

IUPAC6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
SMILESC/C=C/COc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-3-4-10-19-14-11-13(16-2)17-15(18-14)12-8-6-5-7-9-12/h3-9,11H,10H2,1-2H3,(H,16,17,18)/b4-3+
InChIKeyVZXXLLMZWSRWCM-ONEGZZNKSA-N
MW255.32 g/mol
LogP3.14
Rot. Bonds5

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

6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 112559905) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID112559905
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine
SMILESC/C=C/COc1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-3-4-10-19-14-11-13(16-2)17-15(18-14)12-8-6-5-7-9-12/h3-9,11H,10H2,1-2H3,(H,16,17,18)/b4-3+
InChIKeyVZXXLLMZWSRWCM-ONEGZZNKSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.14
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]-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine (CID 112559905) is 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine is C/C=C/COc1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is VZXXLLMZWSRWCM-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-4-10-19-14-11-13(16-2)17-15(18-14)12-8-6-5-7-9-12/h3-9,11H,10H2,1-2H3,(H,16,17,18)/b4-3+.
What are the key properties of 6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine?
6-[(E)-but-2-enoxy]-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.14, 5 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]-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).