4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine

C14H11F6N3O2 — CID 23134743

IUPAC4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1
InChIInChI=1S/C14H11F6N3O2/c15-13(16,17)6-24-8-1-2-11(25-7-14(18,19)20)9(5-8)10-3-4-22-12(21)23-10/h1-5H,6-7H2,(H2,21,22,23)
InChIKeyWZEUFISNSRAVLC-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.61
Rot. Bonds5

About 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine

4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine (PubChem CID 23134743) has the molecular formula C14H11F6N3O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
PubChem CID23134743
Molecular FormulaC14H11F6N3O2
Molecular Weight367.25 g/mol
Exact Mass367.08
IUPAC Name4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1
InChIInChI=1S/C14H11F6N3O2/c15-13(16,17)6-24-8-1-2-11(25-7-14(18,19)20)9(5-8)10-3-4-22-12(21)23-10/h1-5H,6-7H2,(H2,21,22,23)
InChIKeyWZEUFISNSRAVLC-UHFFFAOYSA-N
XLogP3.61
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine (CID 23134743) is 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine is Nc1nccc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1.
What is the InChIKey of 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is WZEUFISNSRAVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O2/c15-13(16,17)6-24-8-1-2-11(25-7-14(18,19)20)9(5-8)10-3-4-22-12(21)23-10/h1-5H,6-7H2,(H2,21,22,23).
What are the key properties of 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine?
4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 367.25 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 23134743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).