4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one

C11H14F3N3O2 — CID 58364843

IUPAC4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)C(F)(F)[C@@H]1C
InChIInChI=1S/C11H14F3N3O2/c1-3-7-5(2)11(13,14)9(19-7)17-4-6(12)8(15)16-10(17)18/h4-5,7,9H,3H2,1-2H3,(H2,15,16,18)/t5-,7-,9-/m1/s1
InChIKeyVFTRJQLXEAOGBL-SLBFFKMLSA-N
MW277.25 g/mol
LogP1.54
Rot. Bonds2

About 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one

4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one (PubChem CID 58364843) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
PubChem CID58364843
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)C(F)(F)[C@@H]1C
InChIInChI=1S/C11H14F3N3O2/c1-3-7-5(2)11(13,14)9(19-7)17-4-6(12)8(15)16-10(17)18/h4-5,7,9H,3H2,1-2H3,(H2,15,16,18)/t5-,7-,9-/m1/s1
InChIKeyVFTRJQLXEAOGBL-SLBFFKMLSA-N
XLogP1.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one (CID 58364843) is 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one is CC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)C(F)(F)[C@@H]1C.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one?
The InChIKey is VFTRJQLXEAOGBL-SLBFFKMLSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-3-7-5(2)11(13,14)9(19-7)17-4-6(12)8(15)16-10(17)18/h4-5,7,9H,3H2,1-2H3,(H2,15,16,18)/t5-,7-,9-/m1/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one?
4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one has a molecular weight of 277.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).