6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine

C13H11F3N4O — CID 25184847

IUPAC6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine
SMILESC=CCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1
InChIInChI=1S/C13H11F3N4O/c1-2-5-21-11-6-10(13(14,15)16)19-12(20-11)9-4-3-8(17)7-18-9/h2-4,6-7H,1,5,17H2
InChIKeyXRNZFZIAENRBGS-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.70
Rot. Bonds4

About 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine

6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine (PubChem CID 25184847) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine
PubChem CID25184847
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine
SMILESC=CCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1
InChIInChI=1S/C13H11F3N4O/c1-2-5-21-11-6-10(13(14,15)16)19-12(20-11)9-4-3-8(17)7-18-9/h2-4,6-7H,1,5,17H2
InChIKeyXRNZFZIAENRBGS-UHFFFAOYSA-N
XLogP2.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
The IUPAC name of 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine (CID 25184847) is 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine is C=CCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1.
What is the InChIKey of 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
The InChIKey is XRNZFZIAENRBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-2-5-21-11-6-10(13(14,15)16)19-12(20-11)9-4-3-8(17)7-18-9/h2-4,6-7H,1,5,17H2.
What are the key properties of 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine?
6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine has a molecular weight of 296.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-prop-2-enoxy-6-(trifluoromethyl)pyrimidin-2-yl]pyridin-3-amine is sourced from PubChem (CID 25184847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).