2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C8H7F6N3O2 — CID 3726631

IUPAC2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESNc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O2/c9-7(10,11)2-18-5-1-4(15)16-6(17-5)19-3-8(12,13)14/h1H,2-3H2,(H2,15,16,17)
InChIKeyJSFVAXLTSHHOKI-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.94
Rot. Bonds4

About 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine

2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 3726631) has the molecular formula C8H7F6N3O2 and a molecular weight of 291.15 g/mol. Its IUPAC name is 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID3726631
Molecular FormulaC8H7F6N3O2
Molecular Weight291.15 g/mol
Exact Mass291.04
IUPAC Name2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESNc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O2/c9-7(10,11)2-18-5-1-4(15)16-6(17-5)19-3-8(12,13)14/h1H,2-3H2,(H2,15,16,17)
InChIKeyJSFVAXLTSHHOKI-UHFFFAOYSA-N
XLogP1.94
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 3726631) is 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine is Nc1cc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is JSFVAXLTSHHOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O2/c9-7(10,11)2-18-5-1-4(15)16-6(17-5)19-3-8(12,13)14/h1H,2-3H2,(H2,15,16,17).
What are the key properties of 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 291.15 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 3726631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).