6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H12F3N3O — CID 126848845

IUPAC6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)5-14-9-4-7(15-6-16-9)8-2-1-3-17-8/h4,6,8H,1-3,5H2,(H,14,15,16)
InChIKeyPYKUFHIJJPADFH-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.30
Rot. Bonds3

About 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 126848845) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID126848845
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)5-14-9-4-7(15-6-16-9)8-2-1-3-17-8/h4,6,8H,1-3,5H2,(H,14,15,16)
InChIKeyPYKUFHIJJPADFH-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 126848845) is 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is FC(F)(F)CNc1cc(C2CCCO2)ncn1.
What is the InChIKey of 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is PYKUFHIJJPADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)5-14-9-4-7(15-6-16-9)8-2-1-3-17-8/h4,6,8H,1-3,5H2,(H,14,15,16).
What are the key properties of 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 247.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 126848845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).