4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine

C17H22N4O — CID 13285574

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(/C=C/c2ccc(N(C)C)cc2)nc(N)n1
InChIInChI=1S/C17H22N4O/c1-4-11-22-16-12-14(19-17(18)20-16)8-5-13-6-9-15(10-7-13)21(2)3/h5-10,12H,4,11H2,1-3H3,(H2,18,19,20)/b8-5+
InChIKeyXVTUULDTLDIUIT-VMPITWQZSA-N
MW298.39 g/mol
LogP3.08
Rot. Bonds6

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine (PubChem CID 13285574) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine
PubChem CID13285574
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(/C=C/c2ccc(N(C)C)cc2)nc(N)n1
InChIInChI=1S/C17H22N4O/c1-4-11-22-16-12-14(19-17(18)20-16)8-5-13-6-9-15(10-7-13)21(2)3/h5-10,12H,4,11H2,1-3H3,(H2,18,19,20)/b8-5+
InChIKeyXVTUULDTLDIUIT-VMPITWQZSA-N
XLogP3.08
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-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 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine (CID 13285574) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(/C=C/c2ccc(N(C)C)cc2)nc(N)n1.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine?
The InChIKey is XVTUULDTLDIUIT-VMPITWQZSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-11-22-16-12-14(19-17(18)20-16)8-5-13-6-9-15(10-7-13)21(2)3/h5-10,12H,4,11H2,1-3H3,(H2,18,19,20)/b8-5+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 13285574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).