3-fluoro-2,4-dihydro-1H-pyrimidine

C4H7FN2 — CID 174447001

IUPAC3-fluoro-2,4-dihydro-1H-pyrimidine
SMILESFN1CC=CNC1
InChIInChI=1S/C4H7FN2/c5-7-3-1-2-6-4-7/h1-2,6H,3-4H2
InChIKeyJQEBGOVAUQLMJZ-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.25
Rot. Bonds

About 3-fluoro-2,4-dihydro-1H-pyrimidine

3-fluoro-2,4-dihydro-1H-pyrimidine (PubChem CID 174447001) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-fluoro-2,4-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-fluoro-2,4-dihydro-1H-pyrimidine
PubChem CID174447001
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name3-fluoro-2,4-dihydro-1H-pyrimidine
SMILESFN1CC=CNC1
InChIInChI=1S/C4H7FN2/c5-7-3-1-2-6-4-7/h1-2,6H,3-4H2
InChIKeyJQEBGOVAUQLMJZ-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dihydro-1H-pyrimidine?
The IUPAC name of 3-fluoro-2,4-dihydro-1H-pyrimidine (CID 174447001) is 3-fluoro-2,4-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-fluoro-2,4-dihydro-1H-pyrimidine?
The canonical SMILES for 3-fluoro-2,4-dihydro-1H-pyrimidine is FN1CC=CNC1.
What is the InChIKey of 3-fluoro-2,4-dihydro-1H-pyrimidine?
The InChIKey is JQEBGOVAUQLMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2/c5-7-3-1-2-6-4-7/h1-2,6H,3-4H2.
What are the key properties of 3-fluoro-2,4-dihydro-1H-pyrimidine?
3-fluoro-2,4-dihydro-1H-pyrimidine has a molecular weight of 102.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dihydro-1H-pyrimidine is sourced from PubChem (CID 174447001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).