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

C11H8F2N4O3 — CID 20929982

IUPAC1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESO=C(Nc1cc(F)ccc1F)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H8F2N4O3/c12-5-1-2-6(13)7(3-5)15-11(20)16-8-4-14-10(19)17-9(8)18/h1-4H,(H2,15,16,20)(H2,14,17,18,19)
InChIKeySQRRJVLFZRVJDI-UHFFFAOYSA-N
MW282.21 g/mol
LogP0.99
Rot. Bonds2

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

1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (PubChem CID 20929982) has the molecular formula C11H8F2N4O3 and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
PubChem CID20929982
Molecular FormulaC11H8F2N4O3
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC Name1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESO=C(Nc1cc(F)ccc1F)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H8F2N4O3/c12-5-1-2-6(13)7(3-5)15-11(20)16-8-4-14-10(19)17-9(8)18/h1-4H,(H2,15,16,20)(H2,14,17,18,19)
InChIKeySQRRJVLFZRVJDI-UHFFFAOYSA-N
XLogP0.99
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide
CID 108797381
1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
CID 20877004
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
CID 108889251
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (CID 20929982) is 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is O=C(Nc1cc(F)ccc1F)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The InChIKey is SQRRJVLFZRVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O3/c12-5-1-2-6(13)7(3-5)15-11(20)16-8-4-14-10(19)17-9(8)18/h1-4H,(H2,15,16,20)(H2,14,17,18,19).
What are the key properties of 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea has a molecular weight of 282.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 20929982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).