5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine

C13H17F3N2O — CID 135231332

IUPAC5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)(C)c1cnc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-12(2,3)9-6-17-10(8-4-5-8)18-11(9)19-7-13(14,15)16/h6,8H,4-5,7H2,1-3H3
InChIKeyALTRHOQJWQSPEZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.59
Rot. Bonds3

About 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine

5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 135231332) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID135231332
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)(C)c1cnc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-12(2,3)9-6-17-10(8-4-5-8)18-11(9)19-7-13(14,15)16/h6,8H,4-5,7H2,1-3H3
InChIKeyALTRHOQJWQSPEZ-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 135231332) is 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine is CC(C)(C)c1cnc(C2CC2)nc1OCC(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is ALTRHOQJWQSPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2,3)9-6-17-10(8-4-5-8)18-11(9)19-7-13(14,15)16/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 274.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 135231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).