4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine

C9H11F3N2O — CID 91224305

IUPAC4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine
SMILESCCCc1nc(OC)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-3-4-7-13-6(9(10,11)12)5-8(14-7)15-2/h5H,3-4H2,1-2H3
InChIKeyTUOKWKXAQXBEFR-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.46
Rot. Bonds3

About 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine

4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine (PubChem CID 91224305) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine
PubChem CID91224305
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine
SMILESCCCc1nc(OC)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O/c1-3-4-7-13-6(9(10,11)12)5-8(14-7)15-2/h5H,3-4H2,1-2H3
InChIKeyTUOKWKXAQXBEFR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine (CID 91224305) is 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine is CCCc1nc(OC)cc(C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is TUOKWKXAQXBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-3-4-7-13-6(9(10,11)12)5-8(14-7)15-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine?
4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 220.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91224305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).