4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one

C12H18FN3O2 — CID 58948021

IUPAC4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1C
InChIInChI=1S/C12H18FN3O2/c1-4-8-7(2)12(3,13)10(18-8)16-6-5-9(14)15-11(16)17/h5-8,10H,4H2,1-3H3,(H2,14,15,17)/t7-,8-,10-,12-/m1/s1
InChIKeyIDKWHLAZPYXOOV-FWSPBBIJSA-N
MW255.29 g/mol
LogP1.50
Rot. Bonds2

About 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one (PubChem CID 58948021) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
PubChem CID58948021
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1C
InChIInChI=1S/C12H18FN3O2/c1-4-8-7(2)12(3,13)10(18-8)16-6-5-9(14)15-11(16)17/h5-8,10H,4H2,1-3H3,(H2,14,15,17)/t7-,8-,10-,12-/m1/s1
InChIKeyIDKWHLAZPYXOOV-FWSPBBIJSA-N
XLogP1.50
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.50
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,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one (CID 58948021) is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one is CC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1C.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is IDKWHLAZPYXOOV-FWSPBBIJSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-4-8-7(2)12(3,13)10(18-8)16-6-5-9(14)15-11(16)17/h5-8,10H,4H2,1-3H3,(H2,14,15,17)/t7-,8-,10-,12-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 255.29 g/mol, XLogP of 1.50, 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,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 58948021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).