2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine

C13H10F3N3 — CID 80952990

IUPAC2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESNc1cc(-c2cc(F)c(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H10F3N3/c14-8-3-7(4-9(15)12(8)16)10-5-11(17)19-13(18-10)6-1-2-6/h3-6H,1-2H2,(H2,17,18,19)
InChIKeyGUUJETOXUGBDES-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.02
Rot. Bonds2

About 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine

2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 80952990) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID80952990
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESNc1cc(-c2cc(F)c(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H10F3N3/c14-8-3-7(4-9(15)12(8)16)10-5-11(17)19-13(18-10)6-1-2-6/h3-6H,1-2H2,(H2,17,18,19)
InChIKeyGUUJETOXUGBDES-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine (CID 80952990) is 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine is Nc1cc(-c2cc(F)c(F)c(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is GUUJETOXUGBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c14-8-3-7(4-9(15)12(8)16)10-5-11(17)19-13(18-10)6-1-2-6/h3-6H,1-2H2,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 265.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80952990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).