4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C21H18FN7O — CID 59641309

IUPAC4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cnccn2)CC3)n1
InChIInChI=1S/C21H18FN7O/c22-14-3-1-13(2-4-14)19-20(16-7-8-26-21(23)27-16)29-15(5-6-17(29)28-19)12-30-18-11-24-9-10-25-18/h1-4,7-11,15H,5-6,12H2,(H2,23,26,27)
InChIKeyGFAFMXCEQLELAU-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 59641309) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
PubChem CID59641309
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cnccn2)CC3)n1
InChIInChI=1S/C21H18FN7O/c22-14-3-1-13(2-4-14)19-20(16-7-8-26-21(23)27-16)29-15(5-6-17(29)28-19)12-30-18-11-24-9-10-25-18/h1-4,7-11,15H,5-6,12H2,(H2,23,26,27)
InChIKeyGFAFMXCEQLELAU-UHFFFAOYSA-N
XLogP3.08
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 59641309) is 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cnccn2)CC3)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
The InChIKey is GFAFMXCEQLELAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c22-14-3-1-13(2-4-14)19-20(16-7-8-26-21(23)27-16)29-15(5-6-17(29)28-19)12-30-18-11-24-9-10-25-18/h1-4,7-11,15H,5-6,12H2,(H2,23,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 403.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 59641309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).