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

C6H5ClF3N3O — CID 22104151

IUPAC4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(OCC(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3O/c7-3-1-4(13-5(11)12-3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
InChIKeyCXEONXSIOWGTLC-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.65
Rot. Bonds2

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

4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 22104151) has the molecular formula C6H5ClF3N3O and a molecular weight of 227.57 g/mol. Its IUPAC name is 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID22104151
Molecular FormulaC6H5ClF3N3O
Molecular Weight227.57 g/mol
Exact Mass227.01
IUPAC Name4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(OCC(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3O/c7-3-1-4(13-5(11)12-3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
InChIKeyCXEONXSIOWGTLC-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 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 22104151) is 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is Nc1nc(Cl)cc(OCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is CXEONXSIOWGTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3O/c7-3-1-4(13-5(11)12-3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13).
What are the key properties of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4-chloro-6-(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 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 22104151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).