4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride

C100H130Cl7N27O10 — CID 159884573

About 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride

4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride (PubChem CID 159884573) has the molecular formula C100H130Cl7N27O10 and a molecular weight of 2118.49 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride.

Molecular Properties

• Compound Name: 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride
• PubChem CID: 159884573
• Molecular Formula: C100H130Cl7N27O10
• Molecular Weight: 2118.49 g/mol
• Exact Mass: 2113.83
• IUPAC Name: 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride
• SMILES: C.C.C.C.C.Cl.ClCCN1CCOCC1.Clc1nc(-c2cccc(OCc3ccccc3)c2)c2ncn(CCN3CCOCC3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(CCN3CCOCC3)c2n1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3CCN2CCOCC2)c1.c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4CCN3CCOCC3)c2)cc1
• InChI: InChI=1S/C28H32N6O3.C24H24ClN5O2.C21H26N6O3.C11H13Cl2N5O.C6H12ClNO.C5H2Cl2N4.5CH4.ClH/c1-2-5-22(6-3-1)20-37-24-8-4-7-23(19-24)25-26-27(31-28(30-25)33-13-17-36-18-14-33)34(21-29-26)10-9-32-11-15-35-16-12-32;25-24-27-21(19-7-4-8-20(15-19)32-16-18-5-2-1-3-6-18)22-23(28-24)30(17-26-22)10-9-29-11-13-31-14-12-29;28-17-3-1-2-16(14-17)18-19-20(24-21(23-18)26-8-12-30-13-9-26)27(15-22-19)5-4-25-6-10-29-11-7-25;12-9-8-10(16-11(13)15-9)18(7-14-8)2-1-17-3-5-19-6-4-17;7-1-2-8-3-5-9-6-4-8;6-3-2-4(9-1-8-2)11-5(7)10-3;;;;;;/h1-8,19,21H,9-18,20H2;1-8,15,17H,9-14,16H2;1-3,14-15,28H,4-13H2;7H,1-6H2;1-6H2;1H,(H,8,9,10,11);5*1H4;1H
• InChIKey: GOMYVKFKCJFVBC-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 354.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.49
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride?

The IUPAC name of 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride (CID 159884573) is 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride.

What is the SMILES notation for 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride?

The canonical SMILES for 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride is C.C.C.C.C.Cl.ClCCN1CCOCC1.Clc1nc(-c2cccc(OCc3ccccc3)c2)c2ncn(CCN3CCOCC3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(CCN3CCOCC3)c2n1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3CCN2CCOCC2)c1.c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4CCN3CCOCC3)c2)cc1.

What is the InChIKey of 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride?

The InChIKey is GOMYVKFKCJFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3.C24H24ClN5O2.C21H26N6O3.C11H13Cl2N5O.C6H12ClNO.C5H2Cl2N4.5CH4.ClH/c1-2-5-22(6-3-1)20-37-24-8-4-7-23(19-24)25-26-27(31-28(30-25)33-13-17-36-18-14-33)34(21-29-26)10-9-32-11-15-35-16-12-32;25-24-27-21(19-7-4-8-20(15-19)32-16-18-5-2-1-3-6-18)22-23(28-24)30(17-26-22)10-9-29-11-13-31-14-12-29;28-17-3-1-2-16(14-17)18-19-20(24-21(23-18)26-8-12-30-13-9-26)27(15-22-19)5-4-25-6-10-29-11-7-25;12-9-8-10(16-11(13)15-9)18(7-14-8)2-1-17-3-5-19-6-4-17;7-1-2-8-3-5-9-6-4-8;6-3-2-4(9-1-8-2)11-5(7)10-3;;;;;;/h1-8,19,21H,9-18,20H2;1-8,15,17H,9-14,16H2;1-3,14-15,28H,4-13H2;7H,1-6H2;1-6H2;1H,(H,8,9,10,11);5*1H4;1H.

What are the key properties of 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride?

4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride has a molecular weight of 2118.49 g/mol, XLogP of 15.95, 25 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloroethyl)morpholine;4-[2-[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]ethyl]morpholine;2,6-dichloro-7H-purine;4-[2-(2,6-dichloropurin-9-yl)ethyl]morpholine;methane;4-[9-(2-morpholin-4-ylethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;3-[2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-yl]phenol;hydrochloride is sourced from PubChem (CID 159884573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).