2-propan-2-yl-5-(trifluoromethoxy)pyrimidine

C8H9F3N2O — CID 155116696

IUPAC2-propan-2-yl-5-(trifluoromethoxy)pyrimidine
SMILESCC(C)c1ncc(OC(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c1-5(2)7-12-3-6(4-13-7)14-8(9,10)11/h3-5H,1-2H3
InChIKeyDWNIBNVAIXSYDP-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.50
Rot. Bonds2

About 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine

2-propan-2-yl-5-(trifluoromethoxy)pyrimidine (PubChem CID 155116696) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethoxy)pyrimidine
PubChem CID155116696
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-propan-2-yl-5-(trifluoromethoxy)pyrimidine
SMILESCC(C)c1ncc(OC(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c1-5(2)7-12-3-6(4-13-7)14-8(9,10)11/h3-5H,1-2H3
InChIKeyDWNIBNVAIXSYDP-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine (CID 155116696) is 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine is CC(C)c1ncc(OC(F)(F)F)cn1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
The InChIKey is DWNIBNVAIXSYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5(2)7-12-3-6(4-13-7)14-8(9,10)11/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine?
2-propan-2-yl-5-(trifluoromethoxy)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 155116696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).