4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine

C9H9F3N2O — CID 168893738

IUPAC4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
SMILESC=C(C)c1ncc(C(F)(F)F)c(OC)n1
InChIInChI=1S/C9H9F3N2O/c1-5(2)7-13-4-6(9(10,11)12)8(14-7)15-3/h4H,1H2,2-3H3
InChIKeyRDWBYVDCMZOKLG-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.54
Rot. Bonds2

About 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine

4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 168893738) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
PubChem CID168893738
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
SMILESC=C(C)c1ncc(C(F)(F)F)c(OC)n1
InChIInChI=1S/C9H9F3N2O/c1-5(2)7-13-4-6(9(10,11)12)8(14-7)15-3/h4H,1H2,2-3H3
InChIKeyRDWBYVDCMZOKLG-UHFFFAOYSA-N
XLogP2.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine (CID 168893738) is 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine is C=C(C)c1ncc(C(F)(F)F)c(OC)n1.
What is the InChIKey of 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is RDWBYVDCMZOKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5(2)7-13-4-6(9(10,11)12)8(14-7)15-3/h4H,1H2,2-3H3.
What are the key properties of 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine?
4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 218.18 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 168893738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).