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

C6H6F3N3O — CID 22909969

IUPAC6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESNc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-13-5-1-4(10)11-3-12-5/h1,3H,2H2,(H2,10,11,12)
InChIKeyKQJHSCZATVSGTO-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds2

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

6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 22909969) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID22909969
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESNc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-13-5-1-4(10)11-3-12-5/h1,3H,2H2,(H2,10,11,12)
InChIKeyKQJHSCZATVSGTO-UHFFFAOYSA-N
XLogP1.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 22909969) is 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is Nc1cc(OCC(F)(F)F)ncn1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is KQJHSCZATVSGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)2-13-5-1-4(10)11-3-12-5/h1,3H,2H2,(H2,10,11,12).
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 193.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 22909969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).