2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

C25H28F3N7O — CID 164935017

About 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine

2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 164935017) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 164935017
• Molecular Formula: C25H28F3N7O
• Molecular Weight: 499.54 g/mol
• Exact Mass: 499.23
• IUPAC Name: 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(CCF)CCF)nc23)n(C)n1
• InChI: InChI=1S/C25H28F3N7O/c1-16-11-22(33(2)32-16)20-13-30-25(29-12-19-18-5-10-36-23(18)4-3-21(19)28)35-15-17(31-24(20)35)14-34(8-6-26)9-7-27/h3-4,11,13,15H,5-10,12,14H2,1-2H3,(H,29,30)
• InChIKey: RYFCOYCJJKTYJQ-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 72.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.54
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine (CID 164935017) is 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN(CCF)CCF)nc23)n(C)n1.

What is the InChIKey of 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is RYFCOYCJJKTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O/c1-16-11-22(33(2)32-16)20-13-30-25(29-12-19-18-5-10-36-23(18)4-3-21(19)28)35-15-17(31-24(20)35)14-34(8-6-26)9-7-27/h3-4,11,13,15H,5-10,12,14H2,1-2H3,(H,29,30).

What are the key properties of 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine?

2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 499.54 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[bis(2-fluoroethyl)amino]methyl]-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 164935017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).