4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one

C11H14FN3O2 — CID 145339313

IUPAC4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one
SMILESCCOC1CC(n2ccc(N)nc2=O)C=C1F
InChIInChI=1S/C11H14FN3O2/c1-2-17-9-6-7(5-8(9)12)15-4-3-10(13)14-11(15)16/h3-5,7,9H,2,6H2,1H3,(H2,13,14,16)
InChIKeySMZNKHDSIIAIJZ-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one

4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one (PubChem CID 145339313) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one
PubChem CID145339313
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one
SMILESCCOC1CC(n2ccc(N)nc2=O)C=C1F
InChIInChI=1S/C11H14FN3O2/c1-2-17-9-6-7(5-8(9)12)15-4-3-10(13)14-11(15)16/h3-5,7,9H,2,6H2,1H3,(H2,13,14,16)
InChIKeySMZNKHDSIIAIJZ-UHFFFAOYSA-N
XLogP1.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one (CID 145339313) is 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one is CCOC1CC(n2ccc(N)nc2=O)C=C1F.
What is the InChIKey of 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one?
The InChIKey is SMZNKHDSIIAIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-2-17-9-6-7(5-8(9)12)15-4-3-10(13)14-11(15)16/h3-5,7,9H,2,6H2,1H3,(H2,13,14,16).
What are the key properties of 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one?
4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethoxy-3-fluorocyclopent-2-en-1-yl)pyrimidin-2-one is sourced from PubChem (CID 145339313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).