4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C57H75Cl3F3N13O7 — CID 160517270

About 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 160517270) has the molecular formula C57H75Cl3F3N13O7 and a molecular weight of 1217.66 g/mol. Its IUPAC name is 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 160517270
• Molecular Formula: C57H75Cl3F3N13O7
• Molecular Weight: 1217.66 g/mol
• Exact Mass: 1215.49
• IUPAC Name: 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
• SMILES: CC1(C)CN(c2cc(Cl)nc(N3CCOCC3)n2)CCO1.CC1(C)CNCCO1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOC(C)(C)C2)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1
• InChI: InChI=1S/C29H32F3N5O3.C14H21ClN4O2.C8H9Cl2N3O.C6H13NO/c1-19-7-8-22(33-26(38)20-5-4-6-21(15-20)29(30,31)32)16-23(19)24-17-25(37-11-14-40-28(2,3)18-37)35-27(34-24)36-9-12-39-13-10-36;1-14(2)10-19(5-8-21-14)12-9-11(15)16-13(17-12)18-3-6-20-7-4-18;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;1-6(2)5-7-3-4-8-6/h4-8,15-17H,9-14,18H2,1-3H3,(H,33,38);9H,3-8,10H2,1-2H3;5H,1-4H2;7H,3-5H2,1-2H3
• InChIKey: QTUVTLRZJOEYEP-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 190.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1217.66
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 160517270) is 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is CC1(C)CN(c2cc(Cl)nc(N3CCOCC3)n2)CCO1.CC1(C)CNCCO1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOC(C)(C)C2)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.

What is the InChIKey of 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is QTUVTLRZJOEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O3.C14H21ClN4O2.C8H9Cl2N3O.C6H13NO/c1-19-7-8-22(33-26(38)20-5-4-6-21(15-20)29(30,31)32)16-23(19)24-17-25(37-11-14-40-28(2,3)18-37)35-27(34-24)36-9-12-39-13-10-36;1-14(2)10-19(5-8-21-14)12-9-11(15)16-13(17-12)18-3-6-20-7-4-18;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;1-6(2)5-7-3-4-8-6/h4-8,15-17H,9-14,18H2,1-3H3,(H,33,38);9H,3-8,10H2,1-2H3;5H,1-4H2;7H,3-5H2,1-2H3.

What are the key properties of 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?

4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1217.66 g/mol, XLogP of 8.76, 8 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-2,2-dimethylmorpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;2,2-dimethylmorpholine;N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160517270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).