6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C11H12F3N3 — CID 20546619

IUPAC6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-16-10(15)17-9/h1-3,6,9H,4-5H2,(H3,15,16,17)
InChIKeyGDPISAALFDKWBE-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.05
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20546619) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20546619
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-16-10(15)17-9/h1-3,6,9H,4-5H2,(H3,15,16,17)
InChIKeyGDPISAALFDKWBE-UHFFFAOYSA-N
XLogP2.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20546619) is 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GDPISAALFDKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-16-10(15)17-9/h1-3,6,9H,4-5H2,(H3,15,16,17).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 243.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20546619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).