5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine

C76H83BrN32O5 — CID 159282694

IUPAC5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine
SMILESCC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2nc(Br)n3C2CCOC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3-c2ccccc2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1
InChIInChI=1S/C22H22N8O.C19H18N8O.C18H24N8O.C17H19BrN8O2/c23-18-12-24-17(11-25-18)19-20-21(28-22(27-19)29-5-7-31-8-6-29)30(13-26-20)16-9-14-3-1-2-4-15(14)10-16;20-15-11-21-14(10-22-15)16-17-18(25-19(24-16)26-6-8-28-9-7-26)27(12-23-17)13-4-2-1-3-5-13;1-18(2,3)10-26-11-22-15-14(12-8-21-13(19)9-20-12)23-17(24-16(15)26)25-4-6-27-7-5-25;18-16-22-14-13(11-7-21-12(19)8-20-11)23-17(25-2-5-27-6-3-25)24-15(14)26(16)10-1-4-28-9-10/h1-4,11-13,16H,5-10H2,(H2,23,25);1-5,10-12H,6-9H2,(H2,20,22);8-9,11H,4-7,10H2,1-3H3,(H2,19,21);7-8,10H,1-6,9H2,(H2,19,21)
InChIKeyKZCUOXSPGOYKEF-UHFFFAOYSA-N
MW1604.62 g/mol
LogP6.91
Rot. Bonds12

About 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine

5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine (PubChem CID 159282694) has the molecular formula C76H83BrN32O5 and a molecular weight of 1604.62 g/mol. Its IUPAC name is 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine
PubChem CID159282694
Molecular FormulaC76H83BrN32O5
Molecular Weight1604.62 g/mol
Exact Mass1602.64
IUPAC Name5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine
SMILESCC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2nc(Br)n3C2CCOC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3-c2ccccc2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1
InChIInChI=1S/C22H22N8O.C19H18N8O.C18H24N8O.C17H19BrN8O2/c23-18-12-24-17(11-25-18)19-20-21(28-22(27-19)29-5-7-31-8-6-29)30(13-26-20)16-9-14-3-1-2-4-15(14)10-16;20-15-11-21-14(10-22-15)16-17-18(25-19(24-16)26-6-8-28-9-7-26)27(12-23-17)13-4-2-1-3-5-13;1-18(2,3)10-26-11-22-15-14(12-8-21-13(19)9-20-12)23-17(24-16(15)26)25-4-6-27-7-5-25;18-16-22-14-13(11-7-21-12(19)8-20-11)23-17(25-2-5-27-6-3-25)24-15(14)26(16)10-1-4-28-9-10/h1-4,11-13,16H,5-10H2,(H2,23,25);1-5,10-12H,6-9H2,(H2,20,22);8-9,11H,4-7,10H2,1-3H3,(H2,19,21);7-8,10H,1-6,9H2,(H2,19,21)
InChIKeyKZCUOXSPGOYKEF-UHFFFAOYSA-N
XLogP6.91
TPSA440.71 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.62
LogP ≤ 56.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine?
The IUPAC name of 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine (CID 159282694) is 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine?
The canonical SMILES for 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine is CC(C)(C)Cn1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2nc(Br)n3C2CCOC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3-c2ccccc2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2Cc3ccccc3C2)cn1.
What is the InChIKey of 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine?
The InChIKey is KZCUOXSPGOYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O.C19H18N8O.C18H24N8O.C17H19BrN8O2/c23-18-12-24-17(11-25-18)19-20-21(28-22(27-19)29-5-7-31-8-6-29)30(13-26-20)16-9-14-3-1-2-4-15(14)10-16;20-15-11-21-14(10-22-15)16-17-18(25-19(24-16)26-6-8-28-9-7-26)27(12-23-17)13-4-2-1-3-5-13;1-18(2,3)10-26-11-22-15-14(12-8-21-13(19)9-20-12)23-17(24-16(15)26)25-4-6-27-7-5-25;18-16-22-14-13(11-7-21-12(19)8-20-11)23-17(25-2-5-27-6-3-25)24-15(14)26(16)10-1-4-28-9-10/h1-4,11-13,16H,5-10H2,(H2,23,25);1-5,10-12H,6-9H2,(H2,20,22);8-9,11H,4-7,10H2,1-3H3,(H2,19,21);7-8,10H,1-6,9H2,(H2,19,21).
What are the key properties of 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine?
5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine has a molecular weight of 1604.62 g/mol, XLogP of 6.91, 12 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-bromo-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-9-phenylpurin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 159282694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).