4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine

C15H13N5 — CID 44586869

IUPAC4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2[nH]cnc2-c2ccccc2)n1
InChIInChI=1S/C15H13N5/c16-15-17-9-8-12(20-15)6-7-13-14(19-10-18-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)(H2,16,17,20)/b7-6+
InChIKeyZBOJOJGUEBNBAS-VOTSOKGWSA-N
MW263.30 g/mol
LogP2.62
Rot. Bonds3

About 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine

4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine (PubChem CID 44586869) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine
PubChem CID44586869
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C/c2[nH]cnc2-c2ccccc2)n1
InChIInChI=1S/C15H13N5/c16-15-17-9-8-12(20-15)6-7-13-14(19-10-18-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)(H2,16,17,20)/b7-6+
InChIKeyZBOJOJGUEBNBAS-VOTSOKGWSA-N
XLogP2.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine (CID 44586869) is 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine is Nc1nccc(/C=C/c2[nH]cnc2-c2ccccc2)n1.
What is the InChIKey of 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is ZBOJOJGUEBNBAS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13N5/c16-15-17-9-8-12(20-15)6-7-13-14(19-10-18-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)(H2,16,17,20)/b7-6+.
What are the key properties of 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine?
4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-phenyl-1H-imidazol-5-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 44586869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).