5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine

C77H87BrN34O4 — CID 157262279

IUPAC5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine
SMILESCCC(C)n1c(Br)nc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(c3ccccc3)C2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(c3ccccc3)CC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H27N9O.C23H25N9O.C17H21BrN8O.C13H14N8O/c25-20-15-26-19(14-27-20)21-22-23(30-24(29-21)32-10-12-34-13-11-32)33(16-28-22)18-6-8-31(9-7-18)17-4-2-1-3-5-17;24-19-13-25-18(12-26-19)20-21-22(29-23(28-20)30-8-10-33-11-9-30)32(15-27-21)17-6-7-31(14-17)16-4-2-1-3-5-16;1-3-10(2)26-15-14(22-16(26)18)13(11-8-21-12(19)9-20-11)23-17(24-15)25-4-6-27-7-5-25;14-9-6-15-8(5-16-9)10-11-12(18-7-17-11)20-13(19-10)21-1-3-22-4-2-21/h1-5,14-16,18H,6-13H2,(H2,25,27);1-5,12-13,15,17H,6-11,14H2,(H2,24,26);8-10H,3-7H2,1-2H3,(H2,19,21);5-7H,1-4H2,(H2,14,16)(H,17,18,19,20)
InChIKeyAXPFHGNNQBOZLT-UHFFFAOYSA-N
MW1632.68 g/mol
LogP7.36
Rot. Bonds14

About 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine

5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine (PubChem CID 157262279) has the molecular formula C77H87BrN34O4 and a molecular weight of 1632.68 g/mol. Its IUPAC name is 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine
PubChem CID157262279
Molecular FormulaC77H87BrN34O4
Molecular Weight1632.68 g/mol
Exact Mass1630.68
IUPAC Name5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine
SMILESCCC(C)n1c(Br)nc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(c3ccccc3)C2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(c3ccccc3)CC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H27N9O.C23H25N9O.C17H21BrN8O.C13H14N8O/c25-20-15-26-19(14-27-20)21-22-23(30-24(29-21)32-10-12-34-13-11-32)33(16-28-22)18-6-8-31(9-7-18)17-4-2-1-3-5-17;24-19-13-25-18(12-26-19)20-21-22(29-23(28-20)30-8-10-33-11-9-30)32(15-27-21)17-6-7-31(14-17)16-4-2-1-3-5-16;1-3-10(2)26-15-14(22-16(26)18)13(11-8-21-12(19)9-20-11)23-17(24-15)25-4-6-27-7-5-25;14-9-6-15-8(5-16-9)10-11-12(18-7-17-11)20-13(19-10)21-1-3-22-4-2-21/h1-5,14-16,18H,6-13H2,(H2,25,27);1-5,12-13,15,17H,6-11,14H2,(H2,24,26);8-10H,3-7H2,1-2H3,(H2,19,21);5-7H,1-4H2,(H2,14,16)(H,17,18,19,20)
InChIKeyAXPFHGNNQBOZLT-UHFFFAOYSA-N
XLogP7.36
TPSA448.82 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.68
LogP ≤ 57.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
9-cyclopentyl-2-morpholin-4-yl-N-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 142432636
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
CID 78333498
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-methyl-4-pyridinyl)-2-morpholin-4-ylpurin-6-amine
CID 145966880
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-2-ylpurin-6-amine
CID 145967749
N-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
CID 145968214
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-fluoro-4-pyridinyl)-2-morpholin-4-ylpurin-6-amine
CID 145969180
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-4-ylpurin-6-amine
CID 145970740
N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-6-(5H-pyrrolo[2,3-b]pyrazin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 156017792
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-8-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-purin-6-yl]morpholine
CID 60148746
(3S)-3-methyl-4-[2-morpholin-4-yl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-7H-purin-6-yl]morpholine
CID 68198078
2,6-Bis-((R)-3-methyl-morpholin-4-yl)-8-pyridin-2-yl-9H-purine
CID 71522882

Frequently Asked Questions

What is the IUPAC name of 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine (CID 157262279) is 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine is CCC(C)n1c(Br)nc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(c3ccccc3)C2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(c3ccccc3)CC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3nc[nH]c23)cn1.
What is the InChIKey of 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine?
The InChIKey is AXPFHGNNQBOZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O.C23H25N9O.C17H21BrN8O.C13H14N8O/c25-20-15-26-19(14-27-20)21-22-23(30-24(29-21)32-10-12-34-13-11-32)33(16-28-22)18-6-8-31(9-7-18)17-4-2-1-3-5-17;24-19-13-25-18(12-26-19)20-21-22(29-23(28-20)30-8-10-33-11-9-30)32(15-27-21)17-6-7-31(14-17)16-4-2-1-3-5-16;1-3-10(2)26-15-14(22-16(26)18)13(11-8-21-12(19)9-20-11)23-17(24-15)25-4-6-27-7-5-25;14-9-6-15-8(5-16-9)10-11-12(18-7-17-11)20-13(19-10)21-1-3-22-4-2-21/h1-5,14-16,18H,6-13H2,(H2,25,27);1-5,12-13,15,17H,6-11,14H2,(H2,24,26);8-10H,3-7H2,1-2H3,(H2,19,21);5-7H,1-4H2,(H2,14,16)(H,17,18,19,20).
What are the key properties of 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine?
5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine has a molecular weight of 1632.68 g/mol, XLogP of 7.36, 14 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpiperidin-4-yl)purin-6-yl]pyrazin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylpyrrolidin-3-yl)purin-6-yl]pyrazin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 157262279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).