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

C11H15F2N3O2 — CID 76675095

IUPAC4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one
SMILESCCC1OC(n2ccc(N)nc2=O)C(F)(F)C1C
InChIInChI=1S/C11H15F2N3O2/c1-3-7-6(2)11(12,13)9(18-7)16-5-4-8(14)15-10(16)17/h4-7,9H,3H2,1-2H3,(H2,14,15,17)
InChIKeyZTTRHXASODCBPL-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.40
Rot. Bonds2

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

4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one (PubChem CID 76675095) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one
PubChem CID76675095
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one
SMILESCCC1OC(n2ccc(N)nc2=O)C(F)(F)C1C
InChIInChI=1S/C11H15F2N3O2/c1-3-7-6(2)11(12,13)9(18-7)16-5-4-8(14)15-10(16)17/h4-7,9H,3H2,1-2H3,(H2,14,15,17)
InChIKeyZTTRHXASODCBPL-UHFFFAOYSA-N
XLogP1.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.40
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-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one (CID 76675095) is 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one is CCC1OC(n2ccc(N)nc2=O)C(F)(F)C1C.
What is the InChIKey of 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is ZTTRHXASODCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-3-7-6(2)11(12,13)9(18-7)16-5-4-8(14)15-10(16)17/h4-7,9H,3H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one?
4-amino-1-(5-ethyl-3,3-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 259.26 g/mol, XLogP of 1.40, 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-difluoro-4-methyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 76675095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).