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

C6H5ClF3N3O — CID 80858560

IUPAC5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCC(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3O/c7-3-1-12-5(11)13-4(3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
InChIKeyZJKQBHZEKXYZGA-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.65
Rot. Bonds2

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

5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 80858560) has the molecular formula C6H5ClF3N3O and a molecular weight of 227.57 g/mol. Its IUPAC name is 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID80858560
Molecular FormulaC6H5ClF3N3O
Molecular Weight227.57 g/mol
Exact Mass227.01
IUPAC Name5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCC(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3O/c7-3-1-12-5(11)13-4(3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
InChIKeyZJKQBHZEKXYZGA-UHFFFAOYSA-N
XLogP1.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 80858560) is 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1ncc(Cl)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is ZJKQBHZEKXYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3O/c7-3-1-12-5(11)13-4(3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13).
What are the key properties of 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 227.57 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80858560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).