1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea

C11H9FN4O3 — CID 22433699

IUPAC1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9FN4O3/c12-6-2-1-3-7(4-6)14-11(19)15-8-5-13-10(18)16-9(8)17/h1-5H,(H2,14,15,19)(H2,13,16,17,18)
InChIKeyDLMGDAIBBTZZQB-UHFFFAOYSA-N
MW264.22 g/mol
LogP0.85
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea

1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea (PubChem CID 22433699) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea
PubChem CID22433699
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9FN4O3/c12-6-2-1-3-7(4-6)14-11(19)15-8-5-13-10(18)16-9(8)17/h1-5H,(H2,14,15,19)(H2,13,16,17,18)
InChIKeyDLMGDAIBBTZZQB-UHFFFAOYSA-N
XLogP0.85
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 50.85
H-Bond Donors ≤ 54
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)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea (CID 22433699) is 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea?
The InChIKey is DLMGDAIBBTZZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c12-6-2-1-3-7(4-6)14-11(19)15-8-5-13-10(18)16-9(8)17/h1-5H,(H2,14,15,19)(H2,13,16,17,18).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea?
1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-fluorophenyl)urea has a molecular weight of 264.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 4 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)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 22433699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).