5-fluoro-4,5-dihydropyrimidine

C4H5FN2 — CID 21434605

IUPAC5-fluoro-4,5-dihydropyrimidine
SMILESFC1C=NC=NC1
InChIInChI=1S/C4H5FN2/c5-4-1-6-3-7-2-4/h1,3-4H,2H2
InChIKeyKMWUMJRJSRCCOR-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.44
Rot. Bonds

About 5-fluoro-4,5-dihydropyrimidine

5-fluoro-4,5-dihydropyrimidine (PubChem CID 21434605) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 5-fluoro-4,5-dihydropyrimidine.

Molecular Properties

Compound Name5-fluoro-4,5-dihydropyrimidine
PubChem CID21434605
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name5-fluoro-4,5-dihydropyrimidine
SMILESFC1C=NC=NC1
InChIInChI=1S/C4H5FN2/c5-4-1-6-3-7-2-4/h1,3-4H,2H2
InChIKeyKMWUMJRJSRCCOR-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,5-dihydropyrimidine?
The IUPAC name of 5-fluoro-4,5-dihydropyrimidine (CID 21434605) is 5-fluoro-4,5-dihydropyrimidine.
What is the SMILES notation for 5-fluoro-4,5-dihydropyrimidine?
The canonical SMILES for 5-fluoro-4,5-dihydropyrimidine is FC1C=NC=NC1.
What is the InChIKey of 5-fluoro-4,5-dihydropyrimidine?
The InChIKey is KMWUMJRJSRCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-4-1-6-3-7-2-4/h1,3-4H,2H2.
What are the key properties of 5-fluoro-4,5-dihydropyrimidine?
5-fluoro-4,5-dihydropyrimidine has a molecular weight of 100.10 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,5-dihydropyrimidine is sourced from PubChem (CID 21434605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).