4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H11F3N4O — CID 114563483

IUPAC4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOc1cncc(-c2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C12H11F3N4O/c1-2-20-8-3-7(5-17-6-8)9-4-10(12(13,14)15)19-11(16)18-9/h3-6H,2H2,1H3,(H2,16,18,19)
InChIKeyVOGBLQQIUVNBCK-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.54
Rot. Bonds3

About 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563483) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563483
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOc1cncc(-c2cc(C(F)(F)F)nc(N)n2)c1
InChIInChI=1S/C12H11F3N4O/c1-2-20-8-3-7(5-17-6-8)9-4-10(12(13,14)15)19-11(16)18-9/h3-6H,2H2,1H3,(H2,16,18,19)
InChIKeyVOGBLQQIUVNBCK-UHFFFAOYSA-N
XLogP2.54
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563483) is 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is CCOc1cncc(-c2cc(C(F)(F)F)nc(N)n2)c1.
What is the InChIKey of 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VOGBLQQIUVNBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-2-20-8-3-7(5-17-6-8)9-4-10(12(13,14)15)19-11(16)18-9/h3-6H,2H2,1H3,(H2,16,18,19).
What are the key properties of 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 284.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).