2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C10H15N3O2 — CID 114586317

IUPAC2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-2-8-12-9(14)5-10(13-8)15-7-3-4-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyAXRHSEQFFRJGIM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.07
Rot. Bonds3

About 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586317) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586317
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-2-8-12-9(14)5-10(13-8)15-7-3-4-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyAXRHSEQFFRJGIM-UHFFFAOYSA-N
XLogP0.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586317) is 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is CCc1nc(OC2CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is AXRHSEQFFRJGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-8-12-9(14)5-10(13-8)15-7-3-4-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).