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

C5H7FN2 — CID 151900701

IUPAC2-fluoro-1-methyl-2H-pyrimidine
SMILESCN1C=CC=NC1F
InChIInChI=1S/C5H7FN2/c1-8-4-2-3-7-5(8)6/h2-5H,1H3
InChIKeySSRXOMVPPAXVRJ-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.77
Rot. Bonds

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

2-fluoro-1-methyl-2H-pyrimidine (PubChem CID 151900701) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-fluoro-1-methyl-2H-pyrimidine.

Molecular Properties

Compound Name2-fluoro-1-methyl-2H-pyrimidine
PubChem CID151900701
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-fluoro-1-methyl-2H-pyrimidine
SMILESCN1C=CC=NC1F
InChIInChI=1S/C5H7FN2/c1-8-4-2-3-7-5(8)6/h2-5H,1H3
InChIKeySSRXOMVPPAXVRJ-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 2-fluoro-1-methyl-2H-pyrimidine?
The IUPAC name of 2-fluoro-1-methyl-2H-pyrimidine (CID 151900701) is 2-fluoro-1-methyl-2H-pyrimidine.
What is the SMILES notation for 2-fluoro-1-methyl-2H-pyrimidine?
The canonical SMILES for 2-fluoro-1-methyl-2H-pyrimidine is CN1C=CC=NC1F.
What is the InChIKey of 2-fluoro-1-methyl-2H-pyrimidine?
The InChIKey is SSRXOMVPPAXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-8-4-2-3-7-5(8)6/h2-5H,1H3.
What are the key properties of 2-fluoro-1-methyl-2H-pyrimidine?
2-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 2-fluoro-1-methyl-2H-pyrimidine is sourced from PubChem (CID 151900701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).