4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine

C6H6F3N3O — CID 79917223

IUPAC4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
SMILESNc1cncnc1OCC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-13-5-4(10)1-11-3-12-5/h1,3H,2,10H2
InChIKeyAPKKPCCUYSUMHT-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine

4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine (PubChem CID 79917223) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
PubChem CID79917223
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine
SMILESNc1cncnc1OCC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-13-5-4(10)1-11-3-12-5/h1,3H,2,10H2
InChIKeyAPKKPCCUYSUMHT-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 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine (CID 79917223) is 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine is Nc1cncnc1OCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
The InChIKey is APKKPCCUYSUMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)2-13-5-4(10)1-11-3-12-5/h1,3H,2,10H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine?
4-(2,2,2-trifluoroethoxy)pyrimidin-5-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 4-(2,2,2-trifluoroethoxy)pyrimidin-5-amine is sourced from PubChem (CID 79917223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).