2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C15H19N5O3 — CID 3233717

IUPAC2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESO=c1cnc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C15H19N5O3/c21-13-9-16-12-8-17-15(19-3-6-22-7-4-19)18-14(12)20(13)10-11-2-1-5-23-11/h8-9,11H,1-7,10H2/t11-/m1/s1
InChIKeyPQXIGLSKDYHZIC-LLVKDONJSA-N
MW317.35 g/mol
LogP0.20
Rot. Bonds3

About 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233717) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233717
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESO=c1cnc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C15H19N5O3/c21-13-9-16-12-8-17-15(19-3-6-22-7-4-19)18-14(12)20(13)10-11-2-1-5-23-11/h8-9,11H,1-7,10H2/t11-/m1/s1
InChIKeyPQXIGLSKDYHZIC-LLVKDONJSA-N
XLogP0.20
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233717) is 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is O=c1cnc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1.
What is the InChIKey of 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is PQXIGLSKDYHZIC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O3/c21-13-9-16-12-8-17-15(19-3-6-22-7-4-19)18-14(12)20(13)10-11-2-1-5-23-11/h8-9,11H,1-7,10H2/t11-/m1/s1.
What are the key properties of 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 317.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).