N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C27H28FN5O2 — CID 159024692

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159024692) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 159024692
• Molecular Formula: C27H28FN5O2
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.22
• IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: COC1CN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C)nc34)cc2)C1
• InChI: InChI=1S/C27H28FN5O2/c1-17-13-33-26(31-17)22(19-5-3-18(4-6-19)14-32-15-20(16-32)34-2)11-29-27(33)30-12-23-21-9-10-35-25(21)8-7-24(23)28/h3-8,11,13,20H,9-10,12,14-16H2,1-2H3,(H,29,30)
• InChIKey: MMYLMAFKJOSJBH-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 63.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 159024692) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is COC1CN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C)nc34)cc2)C1.

What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is MMYLMAFKJOSJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-17-13-33-26(31-17)22(19-5-3-18(4-6-19)14-32-15-20(16-32)34-2)11-29-27(33)30-12-23-21-9-10-35-25(21)8-7-24(23)28/h3-8,11,13,20H,9-10,12,14-16H2,1-2H3,(H,29,30).

What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 473.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159024692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).