6-fluoro-1,4-dihydropyrimidine

C4H5FN2 — CID 130243578

IUPAC6-fluoro-1,4-dihydropyrimidine
SMILESFC1=CCN=CN1
InChIInChI=1S/C4H5FN2/c5-4-1-2-6-3-7-4/h1,3H,2H2,(H,6,7)
InChIKeyMRUFFVUIJGCDIJ-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.43
Rot. Bonds

About 6-fluoro-1,4-dihydropyrimidine

6-fluoro-1,4-dihydropyrimidine (PubChem CID 130243578) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 6-fluoro-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-fluoro-1,4-dihydropyrimidine
PubChem CID130243578
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name6-fluoro-1,4-dihydropyrimidine
SMILESFC1=CCN=CN1
InChIInChI=1S/C4H5FN2/c5-4-1-2-6-3-7-4/h1,3H,2H2,(H,6,7)
InChIKeyMRUFFVUIJGCDIJ-UHFFFAOYSA-N
XLogP0.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dihydropyrimidine
CID 5248048
4,6-Difluoro-1,4-dihydropyrimidine
CID 21259053
4,4-difluoro-1H-pyrimidine;hydrochloride
CID 66850003
4,4-difluoro-1H-pyrimidine
CID 66850004
2-Fluoro-1,4-dihydropyrimidine
CID 89428894
4,5,6-Trifluoro-1,4-dihydropyrimidine
CID 118888692
4,6-difluoro-4-methyl-1H-pyrimidine
CID 132179863
6-fluoro-1H-pyrimidine-4-thione
CID 144798467
4,4,6-trifluoro-1H-pyrimidine
CID 151055236
4-fluoro-1H-pyrimidine-2,4-diamine
CID 153727178
4-chloro-4-fluoro-1H-pyrimidine
CID 173586223
1,4-Dihydropyrimidin-4-amine
CID 55281263

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-dihydropyrimidine?
The IUPAC name of 6-fluoro-1,4-dihydropyrimidine (CID 130243578) is 6-fluoro-1,4-dihydropyrimidine.
What is the SMILES notation for 6-fluoro-1,4-dihydropyrimidine?
The canonical SMILES for 6-fluoro-1,4-dihydropyrimidine is FC1=CCN=CN1.
What is the InChIKey of 6-fluoro-1,4-dihydropyrimidine?
The InChIKey is MRUFFVUIJGCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-4-1-2-6-3-7-4/h1,3H,2H2,(H,6,7).
What are the key properties of 6-fluoro-1,4-dihydropyrimidine?
6-fluoro-1,4-dihydropyrimidine has a molecular weight of 100.10 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dihydropyrimidine is sourced from PubChem (CID 130243578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).