5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile

C17H14FN5O — CID 167055494

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 167055494) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 167055494
• Molecular Formula: C17H14FN5O
• Molecular Weight: 323.33 g/mol
• Exact Mass: 323.12
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: Cc1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
• InChI: InChI=1S/C17H14FN5O/c1-10-7-20-17(23-9-11(6-19)22-16(10)23)21-8-13-12-4-5-24-15(12)3-2-14(13)18/h2-3,7,9H,4-5,8H2,1H3,(H,20,21)
• InChIKey: GLGPNMVTDQMWCZ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 75.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.33
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile (CID 167055494) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.

What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is GLGPNMVTDQMWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-10-7-20-17(23-9-11(6-19)22-16(10)23)21-8-13-12-4-5-24-15(12)3-2-14(13)18/h2-3,7,9H,4-5,8H2,1H3,(H,20,21).

What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile?

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 323.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 167055494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).