2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine

C197H316Cl13N41O5 — CID 165017888

IUPAC2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine
SMILESC=C(CCCCCCCCCCn1cnc2nc(Cl)nc(Cl)c21)OC.CC(=O)CCCCCCCCCCCCCCCn1cnc2nc(Cl)[nH]c(=O)c21.CCCCCCCCCCCCCCCCn1ccc2nc(Cl)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)nc(N)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)ncc21.CCCCCCCCCCCCCCCCn1cnc2nc(N)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2ncnc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2ncncc21.CCOC(=O)Cn1cnc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C22H35Cl2N3.C22H35ClN4O2.C21H34Cl2N4.2C21H36ClN5.2C21H35ClN4.C21H36N4.C18H26Cl2N4O.C9H8Cl2N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-27-18-16-19-20(27)21(23)26-22(24)25-19;1-18(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-27-17-24-20-19(27)21(29)26-22(23)25-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(22)25-21(23)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(23)25-21(22)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(22)25-21(23)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-25-21-19(26)20(22)23-17-24-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-24-20-19(26)17-23-21(22)25-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-19-24-21-20(25)17-22-18-23-21;1-14(25-2)11-9-7-5-3-4-6-8-10-12-24-13-21-17-15(24)16(19)22-18(20)23-17;1-2-17-5(16)3-15-4-12-8-6(15)7(10)13-9(11)14-8/h16,18H,2-15,17H2,1H3;17H,2-16H2,1H3,(H,25,26,29);17H,2-16H2,1H3;2*17H,2-16H2,1H3,(H2,23,25,26);2*17-18H,2-16H2,1H3;17-19H,2-16H2,1H3;13H,1,3-12H2,2H3;4H,2-3H2,1H3
InChIKeyKSFKYZZIYJLCSU-UHFFFAOYSA-N
MW3799.87 g/mol
LogP62.47
Rot. Bonds136

About 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine

2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine (PubChem CID 165017888) has the molecular formula C197H316Cl13N41O5 and a molecular weight of 3799.87 g/mol. Its IUPAC name is 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine.

Molecular Properties

Compound Name2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine
PubChem CID165017888
Molecular FormulaC197H316Cl13N41O5
Molecular Weight3799.87 g/mol
Exact Mass3791.17
IUPAC Name2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine
SMILESC=C(CCCCCCCCCCn1cnc2nc(Cl)nc(Cl)c21)OC.CC(=O)CCCCCCCCCCCCCCCn1cnc2nc(Cl)[nH]c(=O)c21.CCCCCCCCCCCCCCCCn1ccc2nc(Cl)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)nc(N)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)ncc21.CCCCCCCCCCCCCCCCn1cnc2nc(N)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2ncnc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2ncncc21.CCOC(=O)Cn1cnc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C22H35Cl2N3.C22H35ClN4O2.C21H34Cl2N4.2C21H36ClN5.2C21H35ClN4.C21H36N4.C18H26Cl2N4O.C9H8Cl2N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-27-18-16-19-20(27)21(23)26-22(24)25-19;1-18(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-27-17-24-20-19(27)21(29)26-22(23)25-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(22)25-21(23)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(23)25-21(22)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(22)25-21(23)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-25-21-19(26)20(22)23-17-24-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-24-20-19(26)17-23-21(22)25-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-19-24-21-20(25)17-22-18-23-21;1-14(25-2)11-9-7-5-3-4-6-8-10-12-24-13-21-17-15(24)16(19)22-18(20)23-17;1-2-17-5(16)3-15-4-12-8-6(15)7(10)13-9(11)14-8/h16,18H,2-15,17H2,1H3;17H,2-16H2,1H3,(H,25,26,29);17H,2-16H2,1H3;2*17H,2-16H2,1H3,(H2,23,25,26);2*17-18H,2-16H2,1H3;17-19H,2-16H2,1H3;13H,1,3-12H2,2H3;4H,2-3H2,1H3
InChIKeyKSFKYZZIYJLCSU-UHFFFAOYSA-N
XLogP62.47
TPSA547.72 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds136
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003799.87
LogP ≤ 562.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine with MolForge

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Related Compounds

2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate
CID 165032808

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine?
The IUPAC name of 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine (CID 165017888) is 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine.
What is the SMILES notation for 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine?
The canonical SMILES for 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine is C=C(CCCCCCCCCCn1cnc2nc(Cl)nc(Cl)c21)OC.CC(=O)CCCCCCCCCCCCCCCn1cnc2nc(Cl)[nH]c(=O)c21.CCCCCCCCCCCCCCCCn1ccc2nc(Cl)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)nc(N)c21.CCCCCCCCCCCCCCCCn1cnc2nc(Cl)ncc21.CCCCCCCCCCCCCCCCn1cnc2nc(N)nc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2ncnc(Cl)c21.CCCCCCCCCCCCCCCCn1cnc2ncncc21.CCOC(=O)Cn1cnc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine?
The InChIKey is KSFKYZZIYJLCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35Cl2N3.C22H35ClN4O2.C21H34Cl2N4.2C21H36ClN5.2C21H35ClN4.C21H36N4.C18H26Cl2N4O.C9H8Cl2N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-27-18-16-19-20(27)21(23)26-22(24)25-19;1-18(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-27-17-24-20-19(27)21(29)26-22(23)25-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(22)25-21(23)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(23)25-21(22)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-17-24-20-18(27)19(22)25-21(23)26-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-25-21-19(26)20(22)23-17-24-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-18-24-20-19(26)17-23-21(22)25-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-19-24-21-20(25)17-22-18-23-21;1-14(25-2)11-9-7-5-3-4-6-8-10-12-24-13-21-17-15(24)16(19)22-18(20)23-17;1-2-17-5(16)3-15-4-12-8-6(15)7(10)13-9(11)14-8/h16,18H,2-15,17H2,1H3;17H,2-16H2,1H3,(H,25,26,29);17H,2-16H2,1H3;2*17H,2-16H2,1H3,(H2,23,25,26);2*17-18H,2-16H2,1H3;17-19H,2-16H2,1H3;13H,1,3-12H2,2H3;4H,2-3H2,1H3.
What are the key properties of 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine?
2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine has a molecular weight of 3799.87 g/mol, XLogP of 62.47, 136 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine is sourced from PubChem (CID 165017888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).