1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea

C7H9FN4O3 — CID 45093434

IUPAC1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea
SMILESNC(=O)N(CCF)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN4O3/c8-1-2-12(6(9)14)4-3-10-7(15)11-5(4)13/h3H,1-2H2,(H2,9,14)(H2,10,11,13,15)
InChIKeyRHLIEIDJQKLYBS-UHFFFAOYSA-N
MW216.17 g/mol
LogP-1.08
Rot. Bonds3

About 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea

1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea (PubChem CID 45093434) has the molecular formula C7H9FN4O3 and a molecular weight of 216.17 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea
PubChem CID45093434
Molecular FormulaC7H9FN4O3
Molecular Weight216.17 g/mol
Exact Mass216.07
IUPAC Name1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea
SMILESNC(=O)N(CCF)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN4O3/c8-1-2-12(6(9)14)4-3-10-7(15)11-5(4)13/h3H,1-2H2,(H2,9,14)(H2,10,11,13,15)
InChIKeyRHLIEIDJQKLYBS-UHFFFAOYSA-N
XLogP-1.08
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea (CID 45093434) is 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea is NC(=O)N(CCF)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea?
The InChIKey is RHLIEIDJQKLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O3/c8-1-2-12(6(9)14)4-3-10-7(15)11-5(4)13/h3H,1-2H2,(H2,9,14)(H2,10,11,13,15).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea?
1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea has a molecular weight of 216.17 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-1-(2-fluoroethyl)urea is sourced from PubChem (CID 45093434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).