4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

C10H12F3N3O2 — CID 168893925

IUPAC4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(OC2CCOCC2)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-15-9(14)16-8(7)18-6-1-3-17-4-2-6/h5-6H,1-4H2,(H2,14,15,16)
InChIKeyRERILVTZBLMOAX-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.64
Rot. Bonds2

About 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 168893925) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID168893925
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(OC2CCOCC2)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-15-9(14)16-8(7)18-6-1-3-17-4-2-6/h5-6H,1-4H2,(H2,14,15,16)
InChIKeyRERILVTZBLMOAX-UHFFFAOYSA-N
XLogP1.64
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine (CID 168893925) is 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C(F)(F)F)c(OC2CCOCC2)n1.
What is the InChIKey of 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RERILVTZBLMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-15-9(14)16-8(7)18-6-1-3-17-4-2-6/h5-6H,1-4H2,(H2,14,15,16).
What are the key properties of 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 263.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 168893925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).