pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine

C9H13F3N4 — CID 153387458

IUPACpyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine
SMILESC1CCNC1.Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3.C4H9N/c6-5(7,8)3-1-10-4(9)11-2-3;1-2-4-5-3-1/h1-2H,(H2,9,10,11);5H,1-4H2
InChIKeyWANNPZWUWJHJCP-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.45
Rot. Bonds

About pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine

pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 153387458) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Namepyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID153387458
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Namepyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine
SMILESC1CCNC1.Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3.C4H9N/c6-5(7,8)3-1-10-4(9)11-2-3;1-2-4-5-3-1/h1-2H,(H2,9,10,11);5H,1-4H2
InChIKeyWANNPZWUWJHJCP-UHFFFAOYSA-N
XLogP1.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine (CID 153387458) is pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine is C1CCNC1.Nc1ncc(C(F)(F)F)cn1.
What is the InChIKey of pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WANNPZWUWJHJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3.C4H9N/c6-5(7,8)3-1-10-4(9)11-2-3;1-2-4-5-3-1/h1-2H,(H2,9,10,11);5H,1-4H2.
What are the key properties of pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine?
pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 153387458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).