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

C30H27FN6O — CID 59641225

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

N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 59641225) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
• PubChem CID: 59641225
• Molecular Formula: C30H27FN6O
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.22
• IUPAC Name: N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
• SMILES: Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(COc2ccnc4ccccc24)CC3)cc1
• InChI: InChI=1S/C30H27FN6O/c31-20-10-8-19(9-11-20)28-29(25-14-16-33-30(35-25)34-21-4-3-5-21)37-22(12-13-27(37)36-28)18-38-26-15-17-32-24-7-2-1-6-23(24)26/h1-2,6-11,14-17,21-22H,3-5,12-13,18H2,(H,33,34,35)
• InChIKey: LHMHDAIVFWQCKT-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The IUPAC name of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 59641225) is N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

What is the SMILES notation for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The canonical SMILES for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(COc2ccnc4ccccc24)CC3)cc1.

What is the InChIKey of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The InChIKey is LHMHDAIVFWQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O/c31-20-10-8-19(9-11-20)28-29(25-14-16-33-30(35-25)34-21-4-3-5-21)37-22(12-13-27(37)36-28)18-38-26-15-17-32-24-7-2-1-6-23(24)26/h1-2,6-11,14-17,21-22H,3-5,12-13,18H2,(H,33,34,35).

What are the key properties of N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 506.59 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-4-[2-(4-fluorophenyl)-5-(quinolin-4-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 59641225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).