2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine

C10H13F3N2O3 — CID 166306081

IUPAC2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine
SMILESCOCC(COc1ncc(C(F)(F)F)cn1)OC
InChIInChI=1S/C10H13F3N2O3/c1-16-5-8(17-2)6-18-9-14-3-7(4-15-9)10(11,12)13/h3-4,8H,5-6H2,1-2H3
InChIKeyFNHOWCMZHZAVJQ-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.54
Rot. Bonds6

About 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine

2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 166306081) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine
PubChem CID166306081
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine
SMILESCOCC(COc1ncc(C(F)(F)F)cn1)OC
InChIInChI=1S/C10H13F3N2O3/c1-16-5-8(17-2)6-18-9-14-3-7(4-15-9)10(11,12)13/h3-4,8H,5-6H2,1-2H3
InChIKeyFNHOWCMZHZAVJQ-UHFFFAOYSA-N
XLogP1.54
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine (CID 166306081) is 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine is COCC(COc1ncc(C(F)(F)F)cn1)OC.
What is the InChIKey of 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is FNHOWCMZHZAVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-16-5-8(17-2)6-18-9-14-3-7(4-15-9)10(11,12)13/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine?
2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 266.22 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxypropoxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 166306081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).