1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate

C69H88F8N20O6 — CID 157254256

About 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate

1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate (PubChem CID 157254256) has the molecular formula C69H88F8N20O6 and a molecular weight of 1445.58 g/mol. Its IUPAC name is 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate
• PubChem CID: 157254256
• Molecular Formula: C69H88F8N20O6
• Molecular Weight: 1445.58 g/mol
• Exact Mass: 1444.71
• IUPAC Name: 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate
• SMILES: CCC(O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(=O)OC(C)C)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3(O)CC3)n2)n1
• InChI: InChI=1S/C18H23F2N5O2.C17H21F2N5O2.C17H21F2N5O.C17H23F2N5O/c1-11(2)27-16(26)14-6-9-25(24-14)17-21-12(3)10-15(23-17)22-13-4-7-18(19,20)8-5-13;1-3-26-15(25)13-6-9-24(23-13)16-20-11(2)10-14(22-16)21-12-4-7-17(18,19)8-5-12;1-11-10-14(21-12-2-5-17(18,19)6-3-12)22-15(20-11)24-9-4-13(23-24)16(25)7-8-16;1-3-14(25)13-6-9-24(23-13)16-20-11(2)10-15(22-16)21-12-4-7-17(18,19)8-5-12/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,21,22,23);6,9-10,12H,3-5,7-8H2,1-2H3,(H,20,21,22);4,9-10,12,25H,2-3,5-8H2,1H3,(H,20,21,22);6,9-10,12,14,25H,3-5,7-8H2,1-2H3,(H,20,21,22)
• InChIKey: AWRVLFRUNNKXDJ-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 315.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1445.58
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate?

The IUPAC name of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate (CID 157254256) is 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate.

What is the SMILES notation for 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate?

The canonical SMILES for 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate is CCC(O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(=O)OC(C)C)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3(O)CC3)n2)n1.

What is the InChIKey of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate?

The InChIKey is AWRVLFRUNNKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2.C17H21F2N5O2.C17H21F2N5O.C17H23F2N5O/c1-11(2)27-16(26)14-6-9-25(24-14)17-21-12(3)10-15(23-17)22-13-4-7-18(19,20)8-5-13;1-3-26-15(25)13-6-9-24(23-13)16-20-11(2)10-14(22-16)21-12-4-7-17(18,19)8-5-12;1-11-10-14(21-12-2-5-17(18,19)6-3-12)22-15(20-11)24-9-4-13(23-24)16(25)7-8-16;1-3-14(25)13-6-9-24(23-13)16-20-11(2)10-15(22-16)21-12-4-7-17(18,19)8-5-12/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,21,22,23);6,9-10,12H,3-5,7-8H2,1-2H3,(H,20,21,22);4,9-10,12,25H,2-3,5-8H2,1H3,(H,20,21,22);6,9-10,12,14,25H,3-5,7-8H2,1-2H3,(H,20,21,22).

What are the key properties of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate?

1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate has a molecular weight of 1445.58 g/mol, XLogP of 13.01, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]cyclopropan-1-ol;1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;propan-2-yl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 157254256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).