5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine

C16H17FN6 — CID 58748668

IUPAC5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
SMILESCCCc1nc(N)cnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C16H17FN6/c1-2-4-11-13(20-9-15(18)22-11)10-23-8-7-19-16(23)12-5-3-6-14(17)21-12/h3,5-9H,2,4,10H2,1H3,(H2,18,22)
InChIKeyRUOZXBPFVBBFAP-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.46
Rot. Bonds5

About 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine

5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine (PubChem CID 58748668) has the molecular formula C16H17FN6 and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
PubChem CID58748668
Molecular FormulaC16H17FN6
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine
SMILESCCCc1nc(N)cnc1Cn1ccnc1-c1cccc(F)n1
InChIInChI=1S/C16H17FN6/c1-2-4-11-13(20-9-15(18)22-11)10-23-8-7-19-16(23)12-5-3-6-14(17)21-12/h3,5-9H,2,4,10H2,1H3,(H2,18,22)
InChIKeyRUOZXBPFVBBFAP-UHFFFAOYSA-N
XLogP2.46
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine?
The IUPAC name of 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine (CID 58748668) is 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine.
What is the SMILES notation for 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine?
The canonical SMILES for 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine is CCCc1nc(N)cnc1Cn1ccnc1-c1cccc(F)n1.
What is the InChIKey of 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine?
The InChIKey is RUOZXBPFVBBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6/c1-2-4-11-13(20-9-15(18)22-11)10-23-8-7-19-16(23)12-5-3-6-14(17)21-12/h3,5-9H,2,4,10H2,1H3,(H2,18,22).
What are the key properties of 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine?
5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-propylpyrazin-2-amine is sourced from PubChem (CID 58748668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).