N-pyrimidin-2-ylcarbamoyl fluoride

C5H4FN3O — CID 58939190

IUPACN-pyrimidin-2-ylcarbamoyl fluoride
SMILESO=C(F)Nc1ncccn1
InChIInChI=1S/C5H4FN3O/c6-4(10)9-5-7-2-1-3-8-5/h1-3H,(H,7,8,9,10)
InChIKeyXMGXIZKGFKMMBQ-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.98
Rot. Bonds1

About N-pyrimidin-2-ylcarbamoyl fluoride

N-pyrimidin-2-ylcarbamoyl fluoride (PubChem CID 58939190) has the molecular formula C5H4FN3O and a molecular weight of 141.10 g/mol. Its IUPAC name is N-pyrimidin-2-ylcarbamoyl fluoride.

Molecular Properties

Compound NameN-pyrimidin-2-ylcarbamoyl fluoride
PubChem CID58939190
Molecular FormulaC5H4FN3O
Molecular Weight141.10 g/mol
Exact Mass141.03
IUPAC NameN-pyrimidin-2-ylcarbamoyl fluoride
SMILESO=C(F)Nc1ncccn1
InChIInChI=1S/C5H4FN3O/c6-4(10)9-5-7-2-1-3-8-5/h1-3H,(H,7,8,9,10)
InChIKeyXMGXIZKGFKMMBQ-UHFFFAOYSA-N
XLogP0.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
CID 3290678
2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide
CID 5198526
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
CID 87240308
1-pyrimidin-2-yl-3-sulfonylurea
CID 23043226
N-pyrimidin-2-ylbenzamide
CID 638481
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-pyrimidin-2-ylurea
CID 658898
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 659676

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylcarbamoyl fluoride?
The IUPAC name of N-pyrimidin-2-ylcarbamoyl fluoride (CID 58939190) is N-pyrimidin-2-ylcarbamoyl fluoride.
What is the SMILES notation for N-pyrimidin-2-ylcarbamoyl fluoride?
The canonical SMILES for N-pyrimidin-2-ylcarbamoyl fluoride is O=C(F)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-ylcarbamoyl fluoride?
The InChIKey is XMGXIZKGFKMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O/c6-4(10)9-5-7-2-1-3-8-5/h1-3H,(H,7,8,9,10).
What are the key properties of N-pyrimidin-2-ylcarbamoyl fluoride?
N-pyrimidin-2-ylcarbamoyl fluoride has a molecular weight of 141.10 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylcarbamoyl fluoride is sourced from PubChem (CID 58939190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).