1-(2-fluorophenyl)-3-pyrazin-2-ylurea

C11H9FN4O — CID 4114233

IUPAC1-(2-fluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccccc1F
InChIInChI=1S/C11H9FN4O/c12-8-3-1-2-4-9(8)15-11(17)16-10-7-13-5-6-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyQEQHADLHUNANPS-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.26
Rot. Bonds2

About 1-(2-fluorophenyl)-3-pyrazin-2-ylurea

1-(2-fluorophenyl)-3-pyrazin-2-ylurea (PubChem CID 4114233) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-pyrazin-2-ylurea
PubChem CID4114233
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name1-(2-fluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccccc1F
InChIInChI=1S/C11H9FN4O/c12-8-3-1-2-4-9(8)15-11(17)16-10-7-13-5-6-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyQEQHADLHUNANPS-UHFFFAOYSA-N
XLogP2.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-N'-2-pyridinylurea
CID 221427
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
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3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
2-N-phenylpyridine-2,3-diamine
CID 10679091
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669
1-Phenyl-3-pyrazin-2-ylurea
CID 5044232
N-(4-isopropylphenyl)-N'-2-pyrazinylurea
CID 6464582
1-(4-Bromophenyl)-3-pyrazin-2-ylurea
CID 17378581
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
N-(2-Nitrophenyl)-N'-pyridin-2-ylurea
CID 12777399

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-fluorophenyl)-3-pyrazin-2-ylurea (CID 4114233) is 1-(2-fluorophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-fluorophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-pyrazin-2-ylurea?
The InChIKey is QEQHADLHUNANPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-3-1-2-4-9(8)15-11(17)16-10-7-13-5-6-14-10/h1-7H,(H2,14,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-pyrazin-2-ylurea?
1-(2-fluorophenyl)-3-pyrazin-2-ylurea has a molecular weight of 232.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 4114233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).