2-phenyl-4-(7H-purin-6-yl)morpholine

C15H15N5O — CID 45179834

IUPAC2-phenyl-4-(7H-purin-6-yl)morpholine
SMILESc1ccc(C2CN(c3ncnc4nc[nH]c34)CCO2)cc1
InChIInChI=1S/C15H15N5O/c1-2-4-11(5-3-1)12-8-20(6-7-21-12)15-13-14(17-9-16-13)18-10-19-15/h1-5,9-10,12H,6-8H2,(H,16,17,18,19)
InChIKeyIAOIRJUNMUTMQB-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.93
Rot. Bonds2

About 2-phenyl-4-(7H-purin-6-yl)morpholine

2-phenyl-4-(7H-purin-6-yl)morpholine (PubChem CID 45179834) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-phenyl-4-(7H-purin-6-yl)morpholine.

Molecular Properties

Compound Name2-phenyl-4-(7H-purin-6-yl)morpholine
PubChem CID45179834
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-phenyl-4-(7H-purin-6-yl)morpholine
SMILESc1ccc(C2CN(c3ncnc4nc[nH]c34)CCO2)cc1
InChIInChI=1S/C15H15N5O/c1-2-4-11(5-3-1)12-8-20(6-7-21-12)15-13-14(17-9-16-13)18-10-19-15/h1-5,9-10,12H,6-8H2,(H,16,17,18,19)
InChIKeyIAOIRJUNMUTMQB-UHFFFAOYSA-N
XLogP1.93
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(7H-purin-6-yl)morpholine?
The IUPAC name of 2-phenyl-4-(7H-purin-6-yl)morpholine (CID 45179834) is 2-phenyl-4-(7H-purin-6-yl)morpholine.
What is the SMILES notation for 2-phenyl-4-(7H-purin-6-yl)morpholine?
The canonical SMILES for 2-phenyl-4-(7H-purin-6-yl)morpholine is c1ccc(C2CN(c3ncnc4nc[nH]c34)CCO2)cc1.
What is the InChIKey of 2-phenyl-4-(7H-purin-6-yl)morpholine?
The InChIKey is IAOIRJUNMUTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-4-11(5-3-1)12-8-20(6-7-21-12)15-13-14(17-9-16-13)18-10-19-15/h1-5,9-10,12H,6-8H2,(H,16,17,18,19).
What are the key properties of 2-phenyl-4-(7H-purin-6-yl)morpholine?
2-phenyl-4-(7H-purin-6-yl)morpholine has a molecular weight of 281.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(7H-purin-6-yl)morpholine is sourced from PubChem (CID 45179834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).