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

C27H26F3N5O — CID 159428604

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

8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159428604) has the molecular formula C27H26F3N5O and a molecular weight of 493.53 g/mol. Its IUPAC name is 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 159428604
• Molecular Formula: C27H26F3N5O
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.21
• IUPAC Name: 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)(F)C4)cc3)c2n1
• InChI: InChI=1S/C27H26F3N5O/c1-17-14-35-25(33-17)21(19-4-2-18(3-5-19)15-34-10-9-27(29,30)16-34)12-31-26(35)32-13-22-20-8-11-36-24(20)7-6-23(22)28/h2-7,12,14H,8-11,13,15-16H2,1H3,(H,31,32)
• InChIKey: GVUXEHVWKSNBKF-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 54.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 159428604) is 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

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

The canonical SMILES for 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCC(F)(F)C4)cc3)c2n1.

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

The InChIKey is GVUXEHVWKSNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O/c1-17-14-35-25(33-17)21(19-4-2-18(3-5-19)15-34-10-9-27(29,30)16-34)12-31-26(35)32-13-22-20-8-11-36-24(20)7-6-23(22)28/h2-7,12,14H,8-11,13,15-16H2,1H3,(H,31,32).

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

8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 493.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159428604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).