1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione

C10H11FN4O4 — CID 138990874

IUPAC1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCN1C(=O)N[C@@H](Cn2cc(F)c(=O)[nH]c2=O)C1=O
InChIInChI=1S/C10H11FN4O4/c1-2-15-8(17)6(12-10(15)19)4-14-3-5(11)7(16)13-9(14)18/h3,6H,2,4H2,1H3,(H,12,19)(H,13,16,18)/t6-/m0/s1
InChIKeyQHLQDBHWNBYGIO-LURJTMIESA-N
MW270.22 g/mol
LogP-1.38
Rot. Bonds3

About 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione

1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 138990874) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID138990874
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCN1C(=O)N[C@@H](Cn2cc(F)c(=O)[nH]c2=O)C1=O
InChIInChI=1S/C10H11FN4O4/c1-2-15-8(17)6(12-10(15)19)4-14-3-5(11)7(16)13-9(14)18/h3,6H,2,4H2,1H3,(H,12,19)(H,13,16,18)/t6-/m0/s1
InChIKeyQHLQDBHWNBYGIO-LURJTMIESA-N
XLogP-1.38
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione (CID 138990874) is 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione is CCN1C(=O)N[C@@H](Cn2cc(F)c(=O)[nH]c2=O)C1=O.
What is the InChIKey of 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is QHLQDBHWNBYGIO-LURJTMIESA-N. The full InChI is InChI=1S/C10H11FN4O4/c1-2-15-8(17)6(12-10(15)19)4-14-3-5(11)7(16)13-9(14)18/h3,6H,2,4H2,1H3,(H,12,19)(H,13,16,18)/t6-/m0/s1.
What are the key properties of 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 270.22 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-ethyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 138990874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).