6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine

C13H19F3N4 — CID 126546272

IUPAC6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(NC2CN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H19F3N4/c1-12(2,3)10-4-11(18-8-17-10)19-9-5-20(6-9)7-13(14,15)16/h4,8-9H,5-7H2,1-3H3,(H,17,18,19)
InChIKeyCFQOZTIYOZMCMT-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.43
Rot. Bonds3

About 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine

6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine (PubChem CID 126546272) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
PubChem CID126546272
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(NC2CN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C13H19F3N4/c1-12(2,3)10-4-11(18-8-17-10)19-9-5-20(6-9)7-13(14,15)16/h4,8-9H,5-7H2,1-3H3,(H,17,18,19)
InChIKeyCFQOZTIYOZMCMT-UHFFFAOYSA-N
XLogP2.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine (CID 126546272) is 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine is CC(C)(C)c1cc(NC2CN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is CFQOZTIYOZMCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-12(2,3)10-4-11(18-8-17-10)19-9-5-20(6-9)7-13(14,15)16/h4,8-9H,5-7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126546272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).