2-fluoro-5-methyl-1,4-dihydropyrimidine

C5H7FN2 — CID 147028247

IUPAC2-fluoro-5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC(F)=NC1
InChIInChI=1S/C5H7FN2/c1-4-2-7-5(6)8-3-4/h2H,3H2,1H3,(H,7,8)
InChIKeyAXBQBHWTFLABFR-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.82
Rot. Bonds

About 2-fluoro-5-methyl-1,4-dihydropyrimidine

2-fluoro-5-methyl-1,4-dihydropyrimidine (PubChem CID 147028247) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-fluoro-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-fluoro-5-methyl-1,4-dihydropyrimidine
PubChem CID147028247
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-fluoro-5-methyl-1,4-dihydropyrimidine
SMILESCC1=CNC(F)=NC1
InChIInChI=1S/C5H7FN2/c1-4-2-7-5(6)8-3-4/h2H,3H2,1H3,(H,7,8)
InChIKeyAXBQBHWTFLABFR-UHFFFAOYSA-N
XLogP0.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.82
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

2-Fluoro-1,4-dihydropyrimidine
CID 89428894
5-(Trifluoromethyl)-1,4-dihydropyrimidine
CID 91135138
5-Fluoro-2-methyl-1,4-dihydropyrimidine
CID 117627432
2-Chloro-5-fluoro-1,4-dihydropyrimidine
CID 129136206
N'-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide
CID 130179341
N'-[(Z)-2-fluoro-3-(methylamino)prop-2-enyl]methanimidamide
CID 135244616
2,5-Bis(trifluoromethyl)-1,4-dihydropyrimidine
CID 173238507
2-Fluoro-5-(trifluoromethyl)-1,4-dihydropyrimidine
CID 173391267
2-Fluoro-1,4-dihydropyrimidine-5-carbonitrile
CID 173391283
5-Chloro-2-fluoro-1,4-dihydropyrimidine
CID 173399153
2-Methyl-5-(trifluoromethyl)-1,4-dihydropyrimidine
CID 162576959
5-Methyl-1,4-dihydropyrimidine
CID 57014191

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 2-fluoro-5-methyl-1,4-dihydropyrimidine (CID 147028247) is 2-fluoro-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-fluoro-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-fluoro-5-methyl-1,4-dihydropyrimidine is CC1=CNC(F)=NC1.
What is the InChIKey of 2-fluoro-5-methyl-1,4-dihydropyrimidine?
The InChIKey is AXBQBHWTFLABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-4-2-7-5(6)8-3-4/h2H,3H2,1H3,(H,7,8).
What are the key properties of 2-fluoro-5-methyl-1,4-dihydropyrimidine?
2-fluoro-5-methyl-1,4-dihydropyrimidine has a molecular weight of 114.12 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 147028247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).