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

C25H30FN7O — CID 175866305

About 2-(diethylaminomethyl)-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-(diethylaminomethyl)-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 175866305) has the molecular formula C25H30FN7O and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-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-(diethylaminomethyl)-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: 175866305
• Molecular Formula: C25H30FN7O
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.25
• IUPAC Name: 2-(diethylaminomethyl)-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: CCN(CC)Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
• InChI: InChI=1S/C25H30FN7O/c1-5-32(6-2)14-17-15-33-24(29-17)20(22-11-16(3)30-31(22)4)13-28-25(33)27-12-19-18-9-10-34-23(18)8-7-21(19)26/h7-8,11,13,15H,5-6,9-10,12,14H2,1-4H3,(H,27,28)
• InChIKey: DADAJLMIHWORLB-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 72.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-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-(diethylaminomethyl)-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 175866305) is 2-(diethylaminomethyl)-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-(diethylaminomethyl)-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-(diethylaminomethyl)-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 CCN(CC)Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.

What is the InChIKey of 2-(diethylaminomethyl)-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 DADAJLMIHWORLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O/c1-5-32(6-2)14-17-15-33-24(29-17)20(22-11-16(3)30-31(22)4)13-28-25(33)27-12-19-18-9-10-34-23(18)8-7-21(19)26/h7-8,11,13,15H,5-6,9-10,12,14H2,1-4H3,(H,27,28).

What are the key properties of 2-(diethylaminomethyl)-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-(diethylaminomethyl)-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 463.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylaminomethyl)-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 175866305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).