6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol

C44H65ClF4N12O4 — CID 158681155

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol (PubChem CID 158681155) has the molecular formula C44H65ClF4N12O4 and a molecular weight of 937.53 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol
• PubChem CID: 158681155
• Molecular Formula: C44H65ClF4N12O4
• Molecular Weight: 937.53 g/mol
• Exact Mass: 936.49
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol
• SMILES: CC(C)(O)C1CNCCO1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOC(C(C)(C)O)C3)n2)n1
• InChI: InChI=1S/C22H32F2N6O2.C15H18ClF2N5.C7H15NO2/c1-14-11-15(2)30(28-14)20-26-18(25-16-5-7-22(23,24)8-6-16)12-19(27-20)29-9-10-32-17(13-29)21(3,4)31;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-7(2,9)6-5-8-3-4-10-6/h11-12,16-17,31H,5-10,13H2,1-4H3,(H,25,26,27);7-8,11H,3-6H2,1-2H3,(H,19,20,21);6,8-9H,3-5H2,1-2H3
• InChIKey: IFDKPXPNAQHPGM-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 185.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.53
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol (CID 158681155) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol is CC(C)(O)C1CNCCO1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOC(C(C)(C)O)C3)n2)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol?

The InChIKey is IFDKPXPNAQHPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2N6O2.C15H18ClF2N5.C7H15NO2/c1-14-11-15(2)30(28-14)20-26-18(25-16-5-7-22(23,24)8-6-16)12-19(27-20)29-9-10-32-17(13-29)21(3,4)31;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-7(2,9)6-5-8-3-4-10-6/h11-12,16-17,31H,5-10,13H2,1-4H3,(H,25,26,27);7-8,11H,3-6H2,1-2H3,(H,19,20,21);6,8-9H,3-5H2,1-2H3.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol has a molecular weight of 937.53 g/mol, XLogP of 6.91, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[4-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]propan-2-ol;2-morpholin-2-ylpropan-2-ol is sourced from PubChem (CID 158681155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).