4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol

C106H112F3N29O8 — CID 163417280

About 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol

4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol (PubChem CID 163417280) has the molecular formula C106H112F3N29O8 and a molecular weight of 1977.25 g/mol. Its IUPAC name is 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol.

Molecular Properties

• Compound Name: 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol
• PubChem CID: 163417280
• Molecular Formula: C106H112F3N29O8
• Molecular Weight: 1977.25 g/mol
• Exact Mass: 1975.92
• IUPAC Name: 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol
• SMILES: COc1nc(N2CCOCC2)c(C)c(-n2ccc(-c3cccc(C)c3)n2)n1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(C(F)(F)F)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(C)n3)n2)c1.Cn1cc(C(O)C#Cc2nc(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)n2)cn1.Cn1cc(C(O)CCc2nc(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)n2)cn1
• InChI: InChI=1S/C24H27N7O2.C24H23N7O2.C20H23N5O2.C19H18F3N5O.C19H21N5O/c2*1-29-17-19(16-25-29)21(32)7-8-22-26-23(30-11-13-33-14-12-30)15-24(27-22)31-10-9-20(28-31)18-5-3-2-4-6-18;1-14-5-4-6-16(13-14)17-7-8-25(23-17)19-15(2)18(21-20(22-19)26-3)24-9-11-27-12-10-24;1-13-3-2-4-14(11-13)15-5-6-27(25-15)17-12-16(26-7-9-28-10-8-26)23-18(24-17)19(20,21)22;1-14-4-3-5-16(12-14)17-6-7-24(22-17)19-13-18(20-15(2)21-19)23-8-10-25-11-9-23/h2-6,9-10,15-17,21,32H,7-8,11-14H2,1H3;2-6,9-10,15-17,21,32H,11-14H2,1H3;4-8,13H,9-12H2,1-3H3;2-6,11-12H,7-10H2,1H3;3-7,12-13H,8-11H2,1-2H3
• InChIKey: AFNCFXHBLIUIFW-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 365.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.25
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol?

The IUPAC name of 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol (CID 163417280) is 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol.

What is the SMILES notation for 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol?

The canonical SMILES for 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol is COc1nc(N2CCOCC2)c(C)c(-n2ccc(-c3cccc(C)c3)n2)n1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(C(F)(F)F)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(C)n3)n2)c1.Cn1cc(C(O)C#Cc2nc(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)n2)cn1.Cn1cc(C(O)CCc2nc(N3CCOCC3)cc(-n3ccc(-c4ccccc4)n3)n2)cn1.

What is the InChIKey of 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol?

The InChIKey is AFNCFXHBLIUIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C24H23N7O2.C20H23N5O2.C19H18F3N5O.C19H21N5O/c2*1-29-17-19(16-25-29)21(32)7-8-22-26-23(30-11-13-33-14-12-30)15-24(27-22)31-10-9-20(28-31)18-5-3-2-4-6-18;1-14-5-4-6-16(13-14)17-7-8-25(23-17)19-15(2)18(21-20(22-19)26-3)24-9-11-27-12-10-24;1-13-3-2-4-14(11-13)15-5-6-27(25-15)17-12-16(26-7-9-28-10-8-26)23-18(24-17)19(20,21)22;1-14-4-3-5-16(12-14)17-6-7-24(22-17)19-13-18(20-15(2)21-19)23-8-10-25-11-9-23/h2-6,9-10,15-17,21,32H,7-8,11-14H2,1H3;2-6,9-10,15-17,21,32H,11-14H2,1H3;4-8,13H,9-12H2,1-3H3;2-6,11-12H,7-10H2,1H3;3-7,12-13H,8-11H2,1-2H3.

What are the key properties of 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol?

4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol has a molecular weight of 1977.25 g/mol, XLogP of 13.62, 21 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 163417280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).