4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine

C₈₈H₁₁₄Cl₅F₆N₂₇O₁₆S — CID 159632203

About 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine

4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine (PubChem CID 159632203) has the molecular formula C₈₈H₁₁₄Cl₅F₆N₂₇O₁₆S and a molecular weight of 2129.37 g/mol. Its IUPAC name is 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine.

Molecular Properties

• Compound Name: 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine
• PubChem CID: 159632203
• Molecular Formula: C₈₈H₁₁₄Cl₅F₆N₂₇O₁₆S
• Molecular Weight: 2129.37 g/mol
• Exact Mass: 2125.70
• IUPAC Name: 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine
• SMILES: C1COCCN1.CCOC(=O)c1[nH]ncc1C.CCOC(=O)c1nn(-c2nc(Cl)cc(Cl)n2)cc1C.CCOC(=O)c1nn(-c2nc(Cl)cc(N3CCOCC3)n2)cc1C.CCOC(=O)c1nn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)cc1C.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(=O)O.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C21H28F2N6O3.C19H24F2N6O3.C15H18ClN5O3.C11H10Cl2N4O2.C7H10N2O2.C6H11F2N.C5H4Cl2N2O2S.C4H9NO/c1-3-32-19(30)18-14(2)13-29(27-18)20-25-16(24-15-4-6-21(22,23)7-5-15)12-17(26-20)28-8-10-31-11-9-28;1-12-11-27(25-16(12)17(28)29)18-23-14(22-13-2-4-19(20,21)5-3-13)10-15(24-18)26-6-8-30-9-7-26;1-3-24-14(22)13-10(2)9-21(19-13)15-17-11(16)8-12(18-15)20-4-6-23-7-5-20;1-3-19-10(18)9-6(2)5-17(16-9)11-14-7(12)4-8(13)15-11;1-3-11-7(10)6-5(2)4-8-9-6;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1/h12-13,15H,3-11H2,1-2H3,(H,24,25,26);10-11,13H,2-9H2,1H3,(H,28,29)(H,22,23,24);8-9H,3-7H2,1-2H3;4-5H,3H2,1-2H3;4H,3H2,1-2H3,(H,8,9);5H,1-4,9H2;2H,1H3;5H,1-4H2
• InChIKey: MPGQKKGWDNGUEU-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 514.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.37
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine?

The IUPAC name of 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine (CID 159632203) is 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine.

What is the SMILES notation for 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine?

The canonical SMILES for 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine is C1COCCN1.CCOC(=O)c1[nH]ncc1C.CCOC(=O)c1nn(-c2nc(Cl)cc(Cl)n2)cc1C.CCOC(=O)c1nn(-c2nc(Cl)cc(N3CCOCC3)n2)cc1C.CCOC(=O)c1nn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)cc1C.CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cc1cn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)nc1C(=O)O.NC1CCC(F)(F)CC1.

What is the InChIKey of 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine?

The InChIKey is MPGQKKGWDNGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N6O3.C19H24F2N6O3.C15H18ClN5O3.C11H10Cl2N4O2.C7H10N2O2.C6H11F2N.C5H4Cl2N2O2S.C4H9NO/c1-3-32-19(30)18-14(2)13-29(27-18)20-25-16(24-15-4-6-21(22,23)7-5-15)12-17(26-20)28-8-10-31-11-9-28;1-12-11-27(25-16(12)17(28)29)18-23-14(22-13-2-4-19(20,21)5-3-13)10-15(24-18)26-6-8-30-9-7-26;1-3-24-14(22)13-10(2)9-21(19-13)15-17-11(16)8-12(18-15)20-4-6-23-7-5-20;1-3-19-10(18)9-6(2)5-17(16-9)11-14-7(12)4-8(13)15-11;1-3-11-7(10)6-5(2)4-8-9-6;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-3-6-4-2-5-1/h12-13,15H,3-11H2,1-2H3,(H,24,25,26);10-11,13H,2-9H2,1H3,(H,28,29)(H,22,23,24);8-9H,3-7H2,1-2H3;4-5H,3H2,1-2H3;4H,3H2,1-2H3,(H,8,9);5H,1-4,9H2;2H,1H3;5H,1-4H2.

What are the key properties of 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine?

4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine has a molecular weight of 2129.37 g/mol, XLogP of 12.77, 21 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine is sourced from PubChem (CID 159632203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159632203 — identifiers, structure, computed properties (public domain)

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