1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

C57H74F8N18O5 — CID 161168652

About 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 161168652) has the molecular formula C57H74F8N18O5 and a molecular weight of 1243.32 g/mol. Its IUPAC name is 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
• PubChem CID: 161168652
• Molecular Formula: C57H74F8N18O5
• Molecular Weight: 1243.32 g/mol
• Exact Mass: 1242.60
• IUPAC Name: 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
• SMILES: Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(F)F.Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C=O.Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1CO
• InChI: InChI=1S/C19H24F4N6O.C19H26F2N6O2.C19H24F2N6O2/c1-12-11-29(27-16(12)17(20)21)18-25-14(24-13-2-4-19(22,23)5-3-13)10-15(26-18)28-6-8-30-9-7-28;2*1-13-11-27(25-15(13)12-28)18-23-16(22-14-2-4-19(20,21)5-3-14)10-17(24-18)26-6-8-29-9-7-26/h10-11,13,17H,2-9H2,1H3,(H,24,25,26);10-11,14,28H,2-9,12H2,1H3,(H,22,23,24);10-12,14H,2-9H2,1H3,(H,22,23,24)
• InChIKey: UQWSWIMWIFMIOJ-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 241.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1243.32
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?

The IUPAC name of 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (CID 161168652) is 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.

What is the SMILES notation for 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?

The canonical SMILES for 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(F)F.Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C=O.Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1CO.

What is the InChIKey of 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?

The InChIKey is UQWSWIMWIFMIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N6O.C19H26F2N6O2.C19H24F2N6O2/c1-12-11-29(27-16(12)17(20)21)18-25-14(24-13-2-4-19(22,23)5-3-13)10-15(26-18)28-6-8-30-9-7-28;2*1-13-11-27(25-15(13)12-28)18-23-16(22-14-2-4-19(20,21)5-3-14)10-17(24-18)26-6-8-29-9-7-26/h10-11,13,17H,2-9H2,1H3,(H,24,25,26);10-11,14,28H,2-9,12H2,1H3,(H,22,23,24);10-12,14H,2-9H2,1H3,(H,22,23,24).

What are the key properties of 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?

1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 1243.32 g/mol, XLogP of 8.63, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 161168652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).