6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine

C76H60BrF7N22O3 — CID 159885737

IUPAC6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4ccc(F)c(C)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4ccc(F)c(C)n4)nc32)cc1.Cc1nc(-c2nc(Nc3ccncc3F)c3[nH]cnc3n2)ccc1F.Cc1nc(Br)ccc1F.Nc1ccncc1F
InChIInChI=1S/C25H20FN5O2.C24H19F2N7O.C16H11F2N7.C6H5BrFN.C5H5FN2/c1-16-20(26)12-13-21(28-16)23-29-24-22(25(30-23)33-19-6-4-3-5-7-19)27-15-31(24)14-17-8-10-18(32-2)11-9-17;1-14-17(25)7-8-20(29-14)22-31-23(30-19-9-10-27-11-18(19)26)21-24(32-22)33(13-28-21)12-15-3-5-16(34-2)6-4-15;1-8-9(17)2-3-12(22-8)14-24-15-13(20-7-21-15)16(25-14)23-11-4-5-19-6-10(11)18;1-4-5(8)2-3-6(7)9-4;6-4-3-8-2-1-5(4)7/h3-13,15H,14H2,1-2H3;3-11,13H,12H2,1-2H3,(H,27,30,31,32);2-7H,1H3,(H2,19,20,21,23,24,25);2-3H,1H3;1-3H,(H2,7,8)
InChIKeyNUCMZHAUEYXLKM-UHFFFAOYSA-N
MW1542.36 g/mol
LogP16.09
Rot. Bonds15

About 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine

6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine (PubChem CID 159885737) has the molecular formula C76H60BrF7N22O3 and a molecular weight of 1542.36 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine
PubChem CID159885737
Molecular FormulaC76H60BrF7N22O3
Molecular Weight1542.36 g/mol
Exact Mass1540.43
IUPAC Name6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine
SMILESCOc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4ccc(F)c(C)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4ccc(F)c(C)n4)nc32)cc1.Cc1nc(-c2nc(Nc3ccncc3F)c3[nH]cnc3n2)ccc1F.Cc1nc(Br)ccc1F.Nc1ccncc1F
InChIInChI=1S/C25H20FN5O2.C24H19F2N7O.C16H11F2N7.C6H5BrFN.C5H5FN2/c1-16-20(26)12-13-21(28-16)23-29-24-22(25(30-23)33-19-6-4-3-5-7-19)27-15-31(24)14-17-8-10-18(32-2)11-9-17;1-14-17(25)7-8-20(29-14)22-31-23(30-19-9-10-27-11-18(19)26)21-24(32-22)33(13-28-21)12-15-3-5-16(34-2)6-4-15;1-8-9(17)2-3-12(22-8)14-24-15-13(20-7-21-15)16(25-14)23-11-4-5-19-6-10(11)18;1-4-5(8)2-3-6(7)9-4;6-4-3-8-2-1-5(4)7/h3-13,15H,14H2,1-2H3;3-11,13H,12H2,1-2H3,(H,27,30,31,32);2-7H,1H3,(H2,19,20,21,23,24,25);2-3H,1H3;1-3H,(H2,7,8)
InChIKeyNUCMZHAUEYXLKM-UHFFFAOYSA-N
XLogP16.09
TPSA309.66 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.36
LogP ≤ 516.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
The IUPAC name of 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine (CID 159885737) is 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine.
What is the SMILES notation for 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
The canonical SMILES for 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine is COc1ccc(Cn2cnc3c(Nc4ccncc4F)nc(-c4ccc(F)c(C)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Oc4ccccc4)nc(-c4ccc(F)c(C)n4)nc32)cc1.Cc1nc(-c2nc(Nc3ccncc3F)c3[nH]cnc3n2)ccc1F.Cc1nc(Br)ccc1F.Nc1ccncc1F.
What is the InChIKey of 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
The InChIKey is NUCMZHAUEYXLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2.C24H19F2N7O.C16H11F2N7.C6H5BrFN.C5H5FN2/c1-16-20(26)12-13-21(28-16)23-29-24-22(25(30-23)33-19-6-4-3-5-7-19)27-15-31(24)14-17-8-10-18(32-2)11-9-17;1-14-17(25)7-8-20(29-14)22-31-23(30-19-9-10-27-11-18(19)26)21-24(32-22)33(13-28-21)12-15-3-5-16(34-2)6-4-15;1-8-9(17)2-3-12(22-8)14-24-15-13(20-7-21-15)16(25-14)23-11-4-5-19-6-10(11)18;1-4-5(8)2-3-6(7)9-4;6-4-3-8-2-1-5(4)7/h3-13,15H,14H2,1-2H3;3-11,13H,12H2,1-2H3,(H,27,30,31,32);2-7H,1H3,(H2,19,20,21,23,24,25);2-3H,1H3;1-3H,(H2,7,8).
What are the key properties of 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine?
6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine has a molecular weight of 1542.36 g/mol, XLogP of 16.09, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methylpyridine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)-7H-purin-6-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-9-[(4-methoxyphenyl)methyl]-6-phenoxypurine;3-fluoropyridin-4-amine is sourced from PubChem (CID 159885737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).