5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine

C11H13F3N2O — CID 141403699

IUPAC5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC1(c2cnc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C11H13F3N2O/c1-10(2-4-17-5-3-10)8-6-15-9(16-7-8)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyJPCTZGXHHAIHCD-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.56
Rot. Bonds1

About 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine

5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 141403699) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID141403699
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESCC1(c2cnc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C11H13F3N2O/c1-10(2-4-17-5-3-10)8-6-15-9(16-7-8)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyJPCTZGXHHAIHCD-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine (CID 141403699) is 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine is CC1(c2cnc(C(F)(F)F)nc2)CCOCC1.
What is the InChIKey of 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is JPCTZGXHHAIHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-10(2-4-17-5-3-10)8-6-15-9(16-7-8)11(12,13)14/h6-7H,2-5H2,1H3.
What are the key properties of 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine?
5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 246.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141403699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).