N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine

C24H32N8O2 — CID 117079500

IUPACN-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine
SMILESc1nc2nc(N3CCC(N4CCOCC4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)c2[nH]1
InChIInChI=1S/C24H32N8O2/c1-3-19(30-9-13-33-14-10-30)4-2-18(1)27-23-21-22(26-17-25-21)28-24(29-23)32-7-5-20(6-8-32)31-11-15-34-16-12-31/h1-4,17,20H,5-16H2,(H2,25,26,27,28,29)
InChIKeyHTGVSKWIQSHXKV-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.23
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine

N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine (PubChem CID 117079500) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine
PubChem CID117079500
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine
SMILESc1nc2nc(N3CCC(N4CCOCC4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)c2[nH]1
InChIInChI=1S/C24H32N8O2/c1-3-19(30-9-13-33-14-10-30)4-2-18(1)27-23-21-22(26-17-25-21)28-24(29-23)32-7-5-20(6-8-32)31-11-15-34-16-12-31/h1-4,17,20H,5-16H2,(H2,25,26,27,28,29)
InChIKeyHTGVSKWIQSHXKV-UHFFFAOYSA-N
XLogP2.23
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine (CID 117079500) is N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine is c1nc2nc(N3CCC(N4CCOCC4)CC3)nc(Nc3ccc(N4CCOCC4)cc3)c2[nH]1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine?
The InChIKey is HTGVSKWIQSHXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-3-19(30-9-13-33-14-10-30)4-2-18(1)27-23-21-22(26-17-25-21)28-24(29-23)32-7-5-20(6-8-32)31-11-15-34-16-12-31/h1-4,17,20H,5-16H2,(H2,25,26,27,28,29).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine?
N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine has a molecular weight of 464.57 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-amine is sourced from PubChem (CID 117079500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).