2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione

C17H16N6O3 — CID 58552054

IUPAC2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione
SMILESCOc1nc2c(N)nc(C)nc2n1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N6O3/c1-9-19-13(18)12-14(20-9)22(17(21-12)26-2)7-8-23-15(24)10-5-3-4-6-11(10)16(23)25/h3-6H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeySNGVZYAOKSIKNS-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.02
Rot. Bonds4

About 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione

2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione (PubChem CID 58552054) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione
PubChem CID58552054
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione
SMILESCOc1nc2c(N)nc(C)nc2n1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N6O3/c1-9-19-13(18)12-14(20-9)22(17(21-12)26-2)7-8-23-15(24)10-5-3-4-6-11(10)16(23)25/h3-6H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeySNGVZYAOKSIKNS-UHFFFAOYSA-N
XLogP1.02
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethyl]isoindole-1,3-dione
CID 58942876
methyl 2-[3-[[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethylamino]methyl]phenyl]acetate
CID 58551985
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-methoxyphenyl)phosphanium
CID 70693782
1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione
CID 4902806
2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride
CID 19079193
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
2-methylpurino[9,8-a]pyridin-4-amine
CID 10420296
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 9146573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione (CID 58552054) is 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione is COc1nc2c(N)nc(C)nc2n1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione?
The InChIKey is SNGVZYAOKSIKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-9-19-13(18)12-14(20-9)22(17(21-12)26-2)7-8-23-15(24)10-5-3-4-6-11(10)16(23)25/h3-6H,7-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione?
2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione has a molecular weight of 352.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-amino-8-methoxy-2-methylpurin-9-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 58552054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).