2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine

C5H7F3N2 — CID 102470705

IUPAC2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
SMILESFC(F)(F)C1=NCCCN1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H2,(H,9,10)
InChIKeyJSLYYCRYSCTNKY-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.94
Rot. Bonds

About 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine

2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 102470705) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID102470705
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
SMILESFC(F)(F)C1=NCCCN1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H2,(H,9,10)
InChIKeyJSLYYCRYSCTNKY-UHFFFAOYSA-N
XLogP0.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine (CID 102470705) is 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine is FC(F)(F)C1=NCCCN1.
What is the InChIKey of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is JSLYYCRYSCTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H2,(H,9,10).
What are the key properties of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 152.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 102470705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).