4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one

C15H21N5O3 — CID 125178368

IUPAC4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one
SMILESO=C1CN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CCN1
InChIInChI=1S/C15H21N5O3/c21-11-6-20(7-11)15-17-12(10-1-4-23-9-10)5-13(18-15)19-3-2-16-14(22)8-19/h5,10-11,21H,1-4,6-9H2,(H,16,22)/t10-/m0/s1
InChIKeyTUQMEXZRKMGNKV-JTQLQIEISA-N
MW319.37 g/mol
LogP-0.90
Rot. Bonds3

About 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one

4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one (PubChem CID 125178368) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one
PubChem CID125178368
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one
SMILESO=C1CN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CCN1
InChIInChI=1S/C15H21N5O3/c21-11-6-20(7-11)15-17-12(10-1-4-23-9-10)5-13(18-15)19-3-2-16-14(22)8-19/h5,10-11,21H,1-4,6-9H2,(H,16,22)/t10-/m0/s1
InChIKeyTUQMEXZRKMGNKV-JTQLQIEISA-N
XLogP-0.90
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one (CID 125178368) is 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one is O=C1CN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CCN1.
What is the InChIKey of 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one?
The InChIKey is TUQMEXZRKMGNKV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O3/c21-11-6-20(7-11)15-17-12(10-1-4-23-9-10)5-13(18-15)19-3-2-16-14(22)8-19/h5,10-11,21H,1-4,6-9H2,(H,16,22)/t10-/m0/s1.
What are the key properties of 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one?
4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one has a molecular weight of 319.37 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyazetidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 125178368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).