1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione

C8H11FN2O3 — CID 712428

IUPAC1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
SMILESCCO[C@@H](C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-3-14-5(2)11-4-6(9)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H,10,12,13)/t5-/m0/s1
InChIKeyHFFIZXGUEMOUQH-YFKPBYRVSA-N
MW202.18 g/mol
LogP0.23
Rot. Bonds3

About 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione

1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 712428) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID712428
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
SMILESCCO[C@@H](C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-3-14-5(2)11-4-6(9)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H,10,12,13)/t5-/m0/s1
InChIKeyHFFIZXGUEMOUQH-YFKPBYRVSA-N
XLogP0.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione (CID 712428) is 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione is CCO[C@@H](C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is HFFIZXGUEMOUQH-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-3-14-5(2)11-4-6(9)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H,10,12,13)/t5-/m0/s1.
What are the key properties of 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione?
1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 712428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).