8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one

C17H16N4O3 — CID 3233023

IUPAC8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one
SMILESO=c1cnc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C17H16N4O3/c22-15-10-18-14-9-19-17(24-12-5-2-1-3-6-12)20-16(14)21(15)11-13-7-4-8-23-13/h1-3,5-6,9-10,13H,4,7-8,11H2/t13-/m1/s1
InChIKeyJJFZYNSOAUDERE-CYBMUJFWSA-N
MW324.34 g/mol
LogP2.16
Rot. Bonds4

About 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one

8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one (PubChem CID 3233023) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one.

Molecular Properties

Compound Name8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one
PubChem CID3233023
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one
SMILESO=c1cnc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C17H16N4O3/c22-15-10-18-14-9-19-17(24-12-5-2-1-3-6-12)20-16(14)21(15)11-13-7-4-8-23-13/h1-3,5-6,9-10,13H,4,7-8,11H2/t13-/m1/s1
InChIKeyJJFZYNSOAUDERE-CYBMUJFWSA-N
XLogP2.16
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one?
The IUPAC name of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one (CID 3233023) is 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one.
What is the SMILES notation for 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one?
The canonical SMILES for 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one is O=c1cnc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1.
What is the InChIKey of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one?
The InChIKey is JJFZYNSOAUDERE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-15-10-18-14-9-19-17(24-12-5-2-1-3-6-12)20-16(14)21(15)11-13-7-4-8-23-13/h1-3,5-6,9-10,13H,4,7-8,11H2/t13-/m1/s1.
What are the key properties of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one?
8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one has a molecular weight of 324.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxypteridin-7-one is sourced from PubChem (CID 3233023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).