6-fluoro-1-methyl-2H-pyrimidine

C5H7FN2 — CID 175845989

IUPAC6-fluoro-1-methyl-2H-pyrimidine
SMILESCN1CN=CC=C1F
InChIInChI=1S/C5H7FN2/c1-8-4-7-3-2-5(8)6/h2-3H,4H2,1H3
InChIKeyNWFTTWPPZBUCRH-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.77
Rot. Bonds

About 6-fluoro-1-methyl-2H-pyrimidine

6-fluoro-1-methyl-2H-pyrimidine (PubChem CID 175845989) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2H-pyrimidine.

Molecular Properties

Compound Name6-fluoro-1-methyl-2H-pyrimidine
PubChem CID175845989
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name6-fluoro-1-methyl-2H-pyrimidine
SMILESCN1CN=CC=C1F
InChIInChI=1S/C5H7FN2/c1-8-4-7-3-2-5(8)6/h2-3H,4H2,1H3
InChIKeyNWFTTWPPZBUCRH-UHFFFAOYSA-N
XLogP0.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2H-pyrimidine?
The IUPAC name of 6-fluoro-1-methyl-2H-pyrimidine (CID 175845989) is 6-fluoro-1-methyl-2H-pyrimidine.
What is the SMILES notation for 6-fluoro-1-methyl-2H-pyrimidine?
The canonical SMILES for 6-fluoro-1-methyl-2H-pyrimidine is CN1CN=CC=C1F.
What is the InChIKey of 6-fluoro-1-methyl-2H-pyrimidine?
The InChIKey is NWFTTWPPZBUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-8-4-7-3-2-5(8)6/h2-3H,4H2,1H3.
What are the key properties of 6-fluoro-1-methyl-2H-pyrimidine?
6-fluoro-1-methyl-2H-pyrimidine has a molecular weight of 114.12 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2H-pyrimidine is sourced from PubChem (CID 175845989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).