4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine

C127H141B2Cl9F9N21O12 — CID 158449221

About 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine

4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine (PubChem CID 158449221) has the molecular formula C127H141B2Cl9F9N21O12 and a molecular weight of 2665.34 g/mol. Its IUPAC name is 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine.

Molecular Properties

• Compound Name: 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine
• PubChem CID: 158449221
• Molecular Formula: C127H141B2Cl9F9N21O12
• Molecular Weight: 2665.34 g/mol
• Exact Mass: 2659.83
• IUPAC Name: 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine
• SMILES: C1CCOCC1.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.C=C(C)c1cc(Cl)nc(Cl)n1.C=C(C)c1cc(Cl)nc(N2CCOCC2)n1.C=C(C)c1cc(N2CCOCC2)nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n1.C=C(C)c1cc(N2CCOCC2)nc(Cl)n1.C=C(C)c1nc(Cl)cc(Cl)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(Cl)n1
• InChI: InChI=1S/2C26H25F3N4O2.C21H23BF3NO3.2C11H14ClN3O.C9H17BO2.2C7H6Cl2N2.C5H10O.C4HCl3N2/c1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29;1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;1-8(2)9-7-10(14-11(12)13-9)15-3-5-16-6-4-15;1-8(2)9-7-10(12)14-11(13-9)15-3-5-16-6-4-15;1-7(2)10-11-8(3,4)9(5,6)12-10;1-4(2)7-10-5(8)3-6(9)11-7;1-4(2)5-3-6(8)11-7(9)10-5;1-2-4-6-5-3-1;5-2-1-3(6)9-4(7)8-2/h2*4-8,13-15H,1,9-12H2,2-3H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*7H,1,3-6H2,2H3;1H2,2-6H3;2*3H,1H2,2H3;1-5H2;1H
• InChIKey: HDTRJBWGGRIVHD-UHFFFAOYSA-N
• XLogP: 31.20
• TPSA: 363.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2665.34
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

The IUPAC name of 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine (CID 158449221) is 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine.

What is the SMILES notation for 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

The canonical SMILES for 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine is C1CCOCC1.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.C=C(C)c1cc(Cl)nc(Cl)n1.C=C(C)c1cc(Cl)nc(N2CCOCC2)n1.C=C(C)c1cc(N2CCOCC2)nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n1.C=C(C)c1cc(N2CCOCC2)nc(Cl)n1.C=C(C)c1nc(Cl)cc(Cl)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(Cl)n1.

What is the InChIKey of 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

The InChIKey is HDTRJBWGGRIVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H25F3N4O2.C21H23BF3NO3.2C11H14ClN3O.C9H17BO2.2C7H6Cl2N2.C5H10O.C4HCl3N2/c1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29;1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;1-8(2)9-7-10(14-11(12)13-9)15-3-5-16-6-4-15;1-8(2)9-7-10(12)14-11(13-9)15-3-5-16-6-4-15;1-7(2)10-11-8(3,4)9(5,6)12-10;1-4(2)7-10-5(8)3-6(9)11-7;1-4(2)5-3-6(8)11-7(9)10-5;1-2-4-6-5-3-1;5-2-1-3(6)9-4(7)8-2/h2*4-8,13-15H,1,9-12H2,2-3H3,(H,30,34);6-12H,1-5H3,(H,26,27);2*7H,1,3-6H2,2H3;1H2,2-6H3;2*3H,1H2,2H3;1-5H2;1H.

What are the key properties of 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine?

4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine has a molecular weight of 2665.34 g/mol, XLogP of 31.20, 20 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine is sourced from PubChem (CID 158449221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).