1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea

C19H24F2N6O — CID 122294332

About 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea

1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea (PubChem CID 122294332) has the molecular formula C19H24F2N6O and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
• PubChem CID: 122294332
• Molecular Formula: C19H24F2N6O
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.20
• IUPAC Name: 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
• SMILES: Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2c(F)cccc2F)n1
• InChI: InChI=1S/C19H24F2N6O/c1-13-12-16(27-10-3-2-4-11-27)25-18(24-13)22-8-9-23-19(28)26-17-14(20)6-5-7-15(17)21/h5-7,12H,2-4,8-11H2,1H3,(H,22,24,25)(H2,23,26,28)
• InChIKey: GSWGMAQMYNMABT-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 82.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea?

The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea (CID 122294332) is 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea.

What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea?

The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea is Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2c(F)cccc2F)n1.

What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea?

The InChIKey is GSWGMAQMYNMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O/c1-13-12-16(27-10-3-2-4-11-27)25-18(24-13)22-8-9-23-19(28)26-17-14(20)6-5-7-15(17)21/h5-7,12H,2-4,8-11H2,1H3,(H,22,24,25)(H2,23,26,28).

What are the key properties of 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea?

1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea has a molecular weight of 390.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-3-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]urea is sourced from PubChem (CID 122294332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).