2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C14H11F4N3 — CID 107290535

IUPAC2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc(C2CC2)n1
InChIInChI=1S/C14H11F4N3/c15-10-4-3-8(5-9(10)14(16,17)18)11-6-12(19)21-13(20-11)7-1-2-7/h3-7H,1-2H2,(H2,19,20,21)
InChIKeyAMMIKIJOGKGTMR-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.76
Rot. Bonds2

About 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 107290535) has the molecular formula C14H11F4N3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID107290535
Molecular FormulaC14H11F4N3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc(C2CC2)n1
InChIInChI=1S/C14H11F4N3/c15-10-4-3-8(5-9(10)14(16,17)18)11-6-12(19)21-13(20-11)7-1-2-7/h3-7H,1-2H2,(H2,19,20,21)
InChIKeyAMMIKIJOGKGTMR-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 107290535) is 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is Nc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is AMMIKIJOGKGTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3/c15-10-4-3-8(5-9(10)14(16,17)18)11-6-12(19)21-13(20-11)7-1-2-7/h3-7H,1-2H2,(H2,19,20,21).
What are the key properties of 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 297.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 107290535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).