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

C5H7FN2 — CID 163214977

IUPAC1-fluoro-6-methyl-2H-pyrimidine
SMILESCC1=CC=NCN1F
InChIInChI=1S/C5H7FN2/c1-5-2-3-7-4-8(5)6/h2-3H,4H2,1H3
InChIKeyCKVAIEXOEDACQW-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.12
Rot. Bonds

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

1-fluoro-6-methyl-2H-pyrimidine (PubChem CID 163214977) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 1-fluoro-6-methyl-2H-pyrimidine.

Molecular Properties

Compound Name1-fluoro-6-methyl-2H-pyrimidine
PubChem CID163214977
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name1-fluoro-6-methyl-2H-pyrimidine
SMILESCC1=CC=NCN1F
InChIInChI=1S/C5H7FN2/c1-5-2-3-7-4-8(5)6/h2-3H,4H2,1H3
InChIKeyCKVAIEXOEDACQW-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methyl-2H-pyrimidine?
The IUPAC name of 1-fluoro-6-methyl-2H-pyrimidine (CID 163214977) is 1-fluoro-6-methyl-2H-pyrimidine.
What is the SMILES notation for 1-fluoro-6-methyl-2H-pyrimidine?
The canonical SMILES for 1-fluoro-6-methyl-2H-pyrimidine is CC1=CC=NCN1F.
What is the InChIKey of 1-fluoro-6-methyl-2H-pyrimidine?
The InChIKey is CKVAIEXOEDACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-5-2-3-7-4-8(5)6/h2-3H,4H2,1H3.
What are the key properties of 1-fluoro-6-methyl-2H-pyrimidine?
1-fluoro-6-methyl-2H-pyrimidine has a molecular weight of 114.12 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methyl-2H-pyrimidine is sourced from PubChem (CID 163214977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).