4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one

C10H13F2N3O2 — CID 123624725

IUPAC4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one
SMILESCCC1CC(F)(F)C(n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H13F2N3O2/c1-2-6-5-10(11,12)8(17-6)15-4-3-7(13)14-9(15)16/h3-4,6,8H,2,5H2,1H3,(H2,13,14,16)
InChIKeyXSZZIOYCGIVFPE-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.16
Rot. Bonds2

About 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one

4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one (PubChem CID 123624725) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one
PubChem CID123624725
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one
SMILESCCC1CC(F)(F)C(n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H13F2N3O2/c1-2-6-5-10(11,12)8(17-6)15-4-3-7(13)14-9(15)16/h3-4,6,8H,2,5H2,1H3,(H2,13,14,16)
InChIKeyXSZZIOYCGIVFPE-UHFFFAOYSA-N
XLogP1.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one (CID 123624725) is 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one is CCC1CC(F)(F)C(n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one?
The InChIKey is XSZZIOYCGIVFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-2-6-5-10(11,12)8(17-6)15-4-3-7(13)14-9(15)16/h3-4,6,8H,2,5H2,1H3,(H2,13,14,16).
What are the key properties of 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one?
4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one has a molecular weight of 245.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-ethyl-3,3-difluorooxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 123624725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).