3-(2-fluoropyrimidin-5-yl)prop-2-enamide

C7H6FN3O — CID 169481377

IUPAC3-(2-fluoropyrimidin-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc(F)nc1
InChIInChI=1S/C7H6FN3O/c8-7-10-3-5(4-11-7)1-2-6(9)12/h1-4H,(H2,9,12)
InChIKeyAJKPAUNFVKQCGG-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.11
Rot. Bonds2

About 3-(2-fluoropyrimidin-5-yl)prop-2-enamide

3-(2-fluoropyrimidin-5-yl)prop-2-enamide (PubChem CID 169481377) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 3-(2-fluoropyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-fluoropyrimidin-5-yl)prop-2-enamide
PubChem CID169481377
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name3-(2-fluoropyrimidin-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc(F)nc1
InChIInChI=1S/C7H6FN3O/c8-7-10-3-5(4-11-7)1-2-6(9)12/h1-4H,(H2,9,12)
InChIKeyAJKPAUNFVKQCGG-UHFFFAOYSA-N
XLogP0.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropyrimidin-5-yl)prop-2-enamide?
The IUPAC name of 3-(2-fluoropyrimidin-5-yl)prop-2-enamide (CID 169481377) is 3-(2-fluoropyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-fluoropyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for 3-(2-fluoropyrimidin-5-yl)prop-2-enamide is NC(=O)C=Cc1cnc(F)nc1.
What is the InChIKey of 3-(2-fluoropyrimidin-5-yl)prop-2-enamide?
The InChIKey is AJKPAUNFVKQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c8-7-10-3-5(4-11-7)1-2-6(9)12/h1-4H,(H2,9,12).
What are the key properties of 3-(2-fluoropyrimidin-5-yl)prop-2-enamide?
3-(2-fluoropyrimidin-5-yl)prop-2-enamide has a molecular weight of 167.14 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 169481377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).