6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride

C77H101ClF10N24O8 — CID 157252705

About 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride

6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride (PubChem CID 157252705) has the molecular formula C77H101ClF10N24O8 and a molecular weight of 1716.25 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride.

Molecular Properties

• Compound Name: 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride
• PubChem CID: 157252705
• Molecular Formula: C77H101ClF10N24O8
• Molecular Weight: 1716.25 g/mol
• Exact Mass: 1714.78
• IUPAC Name: 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride
• SMILES: CC(C)C(=O)Cl.CCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CN(C)C3)n2)n1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)C1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)n2)C1.FCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CNC3)n2)n1
• InChI: InChI=1S/C20H26F2N6O3.C18H23F3N6O.C18H24F2N6O2.C17H21F3N6O.C4H7ClO/c1-3-30-18(29)15-6-9-28(26-15)19-24-16(23-13-4-7-20(21,22)8-5-13)10-17(25-19)31-14-11-27(2)12-14;1-26-10-14(11-26)28-16-8-15(22-12-2-5-18(20,21)6-3-12)23-17(24-16)27-7-4-13(9-19)25-27;1-25-9-14(10-25)28-16-8-15(21-12-2-5-18(19,20)6-3-12)22-17(23-16)26-7-4-13(11-27)24-26;18-8-12-3-6-26(25-12)16-23-14(7-15(24-16)27-13-9-21-10-13)22-11-1-4-17(19,20)5-2-11;1-3(2)4(5)6/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H,23,24,25);4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H,22,23,24);4,7-8,12,14,27H,2-3,5-6,9-11H2,1H3,(H,21,22,23);3,6-7,11,13,21H,1-2,4-5,8-10H2,(H,22,23,24);3H,1-2H3
• InChIKey: AWNFEGBQZGKUDX-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 344.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.25
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride?

The IUPAC name of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride (CID 157252705) is 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride.

What is the SMILES notation for 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride?

The canonical SMILES for 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride is CC(C)C(=O)Cl.CCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CN(C)C3)n2)n1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CF)n3)n2)C1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(-n3ccc(CO)n3)n2)C1.FCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OC3CNC3)n2)n1.

What is the InChIKey of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride?

The InChIKey is AWNFEGBQZGKUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N6O3.C18H23F3N6O.C18H24F2N6O2.C17H21F3N6O.C4H7ClO/c1-3-30-18(29)15-6-9-28(26-15)19-24-16(23-13-4-7-20(21,22)8-5-13)10-17(25-19)31-14-11-27(2)12-14;1-26-10-14(11-26)28-16-8-15(22-12-2-5-18(20,21)6-3-12)23-17(24-16)27-7-4-13(9-19)25-27;1-25-9-14(10-25)28-16-8-15(21-12-2-5-18(19,20)6-3-12)22-17(23-16)26-7-4-13(11-27)24-26;18-8-12-3-6-26(25-12)16-23-14(7-15(24-16)27-13-9-21-10-13)22-11-1-4-17(19,20)5-2-11;1-3(2)4(5)6/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H,23,24,25);4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H,22,23,24);4,7-8,12,14,27H,2-3,5-6,9-11H2,1H3,(H,21,22,23);3,6-7,11,13,21H,1-2,4-5,8-10H2,(H,22,23,24);3H,1-2H3.

What are the key properties of 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride?

6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride has a molecular weight of 1716.25 g/mol, XLogP of 11.05, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride is sourced from PubChem (CID 157252705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).