4-(9-benzyl-8-methoxypurin-6-yl)morpholine

C17H19N5O2 — CID 11508112

IUPAC4-(9-benzyl-8-methoxypurin-6-yl)morpholine
SMILESCOc1nc2c(N3CCOCC3)ncnc2n1Cc1ccccc1
InChIInChI=1S/C17H19N5O2/c1-23-17-20-14-15(21-7-9-24-10-8-21)18-12-19-16(14)22(17)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyOREHLJNMDRDTNF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.72
Rot. Bonds4

About 4-(9-benzyl-8-methoxypurin-6-yl)morpholine

4-(9-benzyl-8-methoxypurin-6-yl)morpholine (PubChem CID 11508112) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(9-benzyl-8-methoxypurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(9-benzyl-8-methoxypurin-6-yl)morpholine
PubChem CID11508112
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-(9-benzyl-8-methoxypurin-6-yl)morpholine
SMILESCOc1nc2c(N3CCOCC3)ncnc2n1Cc1ccccc1
InChIInChI=1S/C17H19N5O2/c1-23-17-20-14-15(21-7-9-24-10-8-21)18-12-19-16(14)22(17)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyOREHLJNMDRDTNF-UHFFFAOYSA-N
XLogP1.72
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(9-benzyl-8-methoxypurin-6-yl)morpholine?
The IUPAC name of 4-(9-benzyl-8-methoxypurin-6-yl)morpholine (CID 11508112) is 4-(9-benzyl-8-methoxypurin-6-yl)morpholine.
What is the SMILES notation for 4-(9-benzyl-8-methoxypurin-6-yl)morpholine?
The canonical SMILES for 4-(9-benzyl-8-methoxypurin-6-yl)morpholine is COc1nc2c(N3CCOCC3)ncnc2n1Cc1ccccc1.
What is the InChIKey of 4-(9-benzyl-8-methoxypurin-6-yl)morpholine?
The InChIKey is OREHLJNMDRDTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-17-20-14-15(21-7-9-24-10-8-21)18-12-19-16(14)22(17)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 4-(9-benzyl-8-methoxypurin-6-yl)morpholine?
4-(9-benzyl-8-methoxypurin-6-yl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-benzyl-8-methoxypurin-6-yl)morpholine is sourced from PubChem (CID 11508112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).