2-(trifluoromethyl)pyrimidine

C5H3F3N2 — CID 14007756

IUPAC2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncccn1
InChIInChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H
InChIKeyBQDJLAWUTBCDHK-UHFFFAOYSA-N
MW148.09 g/mol
LogP1.50
Rot. Bonds

About 2-(trifluoromethyl)pyrimidine

2-(trifluoromethyl)pyrimidine (PubChem CID 14007756) has the molecular formula C5H3F3N2 and a molecular weight of 148.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrimidine
PubChem CID14007756
Molecular FormulaC5H3F3N2
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncccn1
InChIInChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H
InChIKeyBQDJLAWUTBCDHK-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
2,4-Diaminopyrimidine
CID 67431
N-methylpyrimidin-2-amine
CID 265776
2-Methylpyrimidin-4-amine
CID 295763
2-Cyanopyrimidine
CID 2757979
5-Fluoropyrimidine
CID 69605
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
2-Fluoropyrimidine
CID 141643
4-Aminopyrimidine
CID 68958
2-Chloropyrimidine
CID 74404

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(trifluoromethyl)pyrimidine (CID 14007756) is 2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncccn1.
What is the InChIKey of 2-(trifluoromethyl)pyrimidine?
The InChIKey is BQDJLAWUTBCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H.
What are the key properties of 2-(trifluoromethyl)pyrimidine?
2-(trifluoromethyl)pyrimidine has a molecular weight of 148.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 14007756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).