4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine

C130H157ClN26O22S5 — CID 160986380

About 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine

4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine (PubChem CID 160986380) has the molecular formula C130H157ClN26O22S5 and a molecular weight of 2631.63 g/mol. Its IUPAC name is 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
• PubChem CID: 160986380
• Molecular Formula: C130H157ClN26O22S5
• Molecular Weight: 2631.63 g/mol
• Exact Mass: 2629.03
• IUPAC Name: 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
• SMILES: CCCS(=O)(=O)c1ccc(N)c(NCc2cccc(-c3ncc(OCCN4CCOCC4)cn3)c2)c1.CCCS(=O)(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(-c3ncc(OCCN4CCOCC4)cn3)c2)c1.CCCS(=O)(=O)c1ccc2nnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1.CCCSc1ccc([N+](=O)[O-])c(N)c1.CCCSc1ccc([N+](=O)[O-])c(NCc2cccc(-c3ncc(OCCN4CCOCC4)cn3)c2)c1.ClCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
• InChI: InChI=1S/C26H30N6O4S.C26H31N5O6S.C26H31N5O4S.C26H33N5O4S.C17H20ClN3O2.C9H12N2O2S/c1-2-14-37(33,34)23-6-7-24-25(16-23)32(30-29-24)19-20-4-3-5-21(15-20)26-27-17-22(18-28-26)36-13-10-31-8-11-35-12-9-31;1-2-14-38(34,35)23-6-7-25(31(32)33)24(16-23)27-17-20-4-3-5-21(15-20)26-28-18-22(19-29-26)37-13-10-30-8-11-36-12-9-30;1-2-14-36-23-6-7-25(31(32)33)24(16-23)27-17-20-4-3-5-21(15-20)26-28-18-22(19-29-26)35-13-10-30-8-11-34-12-9-30;1-2-14-36(32,33)23-6-7-24(27)25(16-23)28-17-20-4-3-5-21(15-20)26-29-18-22(19-30-26)35-13-10-31-8-11-34-12-9-31;18-11-14-2-1-3-15(10-14)17-19-12-16(13-20-17)23-9-6-21-4-7-22-8-5-21;1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-7,15-18H,2,8-14,19H2,1H3;3-7,15-16,18-19,27H,2,8-14,17H2,1H3;3-7,15-16,18-19,27H,2,8-14,17H2,1H3;3-7,15-16,18-19,28H,2,8-14,17,27H2,1H3;1-3,10,12-13H,4-9,11H2;3-4,6H,2,5,10H2,1H3
• InChIKey: TUAMSSTVHCESFN-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 588.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 47
• Rotatable Bonds: 55
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2631.63
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?

The IUPAC name of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine (CID 160986380) is 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine.

What is the SMILES notation for 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?

The canonical SMILES for 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine is CCCS(=O)(=O)c1ccc(N)c(NCc2cccc(-c3ncc(OCCN4CCOCC4)cn3)c2)c1.CCCS(=O)(=O)c1ccc([N+](=O)[O-])c(NCc2cccc(-c3ncc(OCCN4CCOCC4)cn3)c2)c1.CCCS(=O)(=O)c1ccc2nnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1.CCCSc1ccc([N+](=O)[O-])c(N)c1.CCCSc1ccc([N+](=O)[O-])c(NCc2cccc(-c3ncc(OCCN4CCOCC4)cn3)c2)c1.ClCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1.

What is the InChIKey of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?

The InChIKey is TUAMSSTVHCESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S.C26H31N5O6S.C26H31N5O4S.C26H33N5O4S.C17H20ClN3O2.C9H12N2O2S/c1-2-14-37(33,34)23-6-7-24-25(16-23)32(30-29-24)19-20-4-3-5-21(15-20)26-27-17-22(18-28-26)36-13-10-31-8-11-35-12-9-31;1-2-14-38(34,35)23-6-7-25(31(32)33)24(16-23)27-17-20-4-3-5-21(15-20)26-28-18-22(19-29-26)37-13-10-30-8-11-36-12-9-30;1-2-14-36-23-6-7-25(31(32)33)24(16-23)27-17-20-4-3-5-21(15-20)26-28-18-22(19-29-26)35-13-10-30-8-11-34-12-9-30;1-2-14-36(32,33)23-6-7-24(27)25(16-23)28-17-20-4-3-5-21(15-20)26-29-18-22(19-30-26)35-13-10-31-8-11-34-12-9-31;18-11-14-2-1-3-15(10-14)17-19-12-16(13-20-17)23-9-6-21-4-7-22-8-5-21;1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-7,15-18H,2,8-14,19H2,1H3;3-7,15-16,18-19,27H,2,8-14,17H2,1H3;3-7,15-16,18-19,27H,2,8-14,17H2,1H3;3-7,15-16,18-19,28H,2,8-14,17,27H2,1H3;1-3,10,12-13H,4-9,11H2;3-4,6H,2,5,10H2,1H3.

What are the key properties of 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?

4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine has a molecular weight of 2631.63 g/mol, XLogP of 19.77, 55 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 160986380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).