2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine

C8H9F3N2O3 — CID 102101568

IUPAC2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(OC)c(C(F)(F)F)c(OC)n1
InChIInChI=1S/C8H9F3N2O3/c1-14-5-4(8(9,10)11)6(15-2)13-7(12-5)16-3/h1-3H3
InChIKeyYVBFRARMWJNITL-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.52
Rot. Bonds3

About 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine

2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 102101568) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine
PubChem CID102101568
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(OC)c(C(F)(F)F)c(OC)n1
InChIInChI=1S/C8H9F3N2O3/c1-14-5-4(8(9,10)11)6(15-2)13-7(12-5)16-3/h1-3H3
InChIKeyYVBFRARMWJNITL-UHFFFAOYSA-N
XLogP1.52
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine (CID 102101568) is 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine is COc1nc(OC)c(C(F)(F)F)c(OC)n1.
What is the InChIKey of 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is YVBFRARMWJNITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-14-5-4(8(9,10)11)6(15-2)13-7(12-5)16-3/h1-3H3.
What are the key properties of 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine?
2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 238.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 102101568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).