2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586427

IUPAC2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-13-10(15)5-11(14-9)16-7-8-3-4-12-6-8/h5,8,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyYCJQALLCHLFVOG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.32
Rot. Bonds4

About 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one

2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586427) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586427
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-13-10(15)5-11(14-9)16-7-8-3-4-12-6-8/h5,8,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyYCJQALLCHLFVOG-UHFFFAOYSA-N
XLogP0.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.32
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-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one (CID 114586427) is 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one is CCc1nc(OCC2CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is YCJQALLCHLFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-13-10(15)5-11(14-9)16-7-8-3-4-12-6-8/h5,8,12H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.32, 4 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-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).