4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine

C9H11F3N2O — CID 90379560

IUPAC4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1ccnc(OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-6(2)7-3-4-13-8(14-7)15-5-9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyZSUCTMGSJGJBGN-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.54
Rot. Bonds3

About 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine

4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 90379560) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID90379560
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1ccnc(OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-6(2)7-3-4-13-8(14-7)15-5-9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyZSUCTMGSJGJBGN-UHFFFAOYSA-N
XLogP2.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine (CID 90379560) is 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine is CC(C)c1ccnc(OCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is ZSUCTMGSJGJBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(2)7-3-4-13-8(14-7)15-5-9(10,11)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine?
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 220.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 90379560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).