3-fluoro-4H-pyrimidine

C4H5FN2 — CID 20540593

IUPAC3-fluoro-4H-pyrimidine
SMILESFN1C=NC=CC1
InChIInChI=1S/C4H5FN2/c5-7-3-1-2-6-4-7/h1-2,4H,3H2
InChIKeyKKIDRXOCFWSULJ-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.73
Rot. Bonds

About 3-fluoro-4H-pyrimidine

3-fluoro-4H-pyrimidine (PubChem CID 20540593) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 3-fluoro-4H-pyrimidine.

Molecular Properties

Compound Name3-fluoro-4H-pyrimidine
PubChem CID20540593
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name3-fluoro-4H-pyrimidine
SMILESFN1C=NC=CC1
InChIInChI=1S/C4H5FN2/c5-7-3-1-2-6-4-7/h1-2,4H,3H2
InChIKeyKKIDRXOCFWSULJ-UHFFFAOYSA-N
XLogP0.73
TPSA15.60 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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3,4-dihydropyrimidine
CID 19788969
3-(trifluoromethyl)-4H-pyrimidine
CID 17897402
2-fluoro-4H-pyrimidine-3-carbonitrile
CID 173435487
1-(trifluoromethyl)-4H-pyrimidine
CID 175890234
3-sulfanyl-4H-pyrimidine
CID 20256700
3-prop-2-enyl-4H-pyrimidine
CID 22448489
3,3-dimethyl-4H-pyrimidin-3-ium
CID 53636451
3-bromo-4H-pyrimidine
CID 53688119
4H-pyrimidine-3-carbonitrile
CID 53866791
3-chloro-4H-pyrimidine
CID 54246471
3-ethyl-4H-pyrimidine
CID 54313993
3-ethenyl-4H-pyrimidine
CID 54536105

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4H-pyrimidine?
The IUPAC name of 3-fluoro-4H-pyrimidine (CID 20540593) is 3-fluoro-4H-pyrimidine.
What is the SMILES notation for 3-fluoro-4H-pyrimidine?
The canonical SMILES for 3-fluoro-4H-pyrimidine is FN1C=NC=CC1.
What is the InChIKey of 3-fluoro-4H-pyrimidine?
The InChIKey is KKIDRXOCFWSULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-7-3-1-2-6-4-7/h1-2,4H,3H2.
What are the key properties of 3-fluoro-4H-pyrimidine?
3-fluoro-4H-pyrimidine has a molecular weight of 100.10 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4H-pyrimidine is sourced from PubChem (CID 20540593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).