2-fluoro-4,5-dihydropyrimidine

C4H5FN2 — CID 174964600

IUPAC2-fluoro-4,5-dihydropyrimidine
SMILESFC1=NCCC=N1
InChIInChI=1S/C4H5FN2/c5-4-6-2-1-3-7-4/h2H,1,3H2
InChIKeyJVQNWQYFWHEPEQ-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.79
Rot. Bonds

About 2-fluoro-4,5-dihydropyrimidine

2-fluoro-4,5-dihydropyrimidine (PubChem CID 174964600) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 2-fluoro-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-fluoro-4,5-dihydropyrimidine
PubChem CID174964600
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name2-fluoro-4,5-dihydropyrimidine
SMILESFC1=NCCC=N1
InChIInChI=1S/C4H5FN2/c5-4-6-2-1-3-7-4/h2H,1,3H2
InChIKeyJVQNWQYFWHEPEQ-UHFFFAOYSA-N
XLogP0.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dihydropyrimidine?
The IUPAC name of 2-fluoro-4,5-dihydropyrimidine (CID 174964600) is 2-fluoro-4,5-dihydropyrimidine.
What is the SMILES notation for 2-fluoro-4,5-dihydropyrimidine?
The canonical SMILES for 2-fluoro-4,5-dihydropyrimidine is FC1=NCCC=N1.
What is the InChIKey of 2-fluoro-4,5-dihydropyrimidine?
The InChIKey is JVQNWQYFWHEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-4-6-2-1-3-7-4/h2H,1,3H2.
What are the key properties of 2-fluoro-4,5-dihydropyrimidine?
2-fluoro-4,5-dihydropyrimidine has a molecular weight of 100.10 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dihydropyrimidine is sourced from PubChem (CID 174964600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).