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

C12H11F3N4O — CID 106769781

IUPAC6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCOc1cncc(-c2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H11F3N4O/c1-2-20-8-3-7(5-17-6-8)9-4-10(16)19-11(18-9)12(13,14)15/h3-6H,2H2,1H3,(H2,16,18,19)
InChIKeyDZNIXGFHXIEGAV-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.54
Rot. Bonds3

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

6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769781) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769781
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCOc1cncc(-c2cc(N)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H11F3N4O/c1-2-20-8-3-7(5-17-6-8)9-4-10(16)19-11(18-9)12(13,14)15/h3-6H,2H2,1H3,(H2,16,18,19)
InChIKeyDZNIXGFHXIEGAV-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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Related Compounds

4-(5-ethoxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563483
6-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769451
4-(5-propan-2-yloxy-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563485
4-chloro-6-(5-ethoxy-3-pyridinyl)-2-(methoxymethyl)pyrimidine
CID 113401167
4-(5-propoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106520742
2-(5-ethoxy-3-pyridinyl)-5-methylaniline
CID 82766535
2-(5-ethoxy-3-pyridinyl)-5-fluorophenol
CID 83131100
5-(5-ethoxy-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 106520657
2-(5-ethoxy-3-pyridinyl)-2-fluorobutan-1-amine
CID 112566125
2-(5-ethoxy-3-pyridinyl)-4-methylphenol
CID 83131203
2-(2-ethoxybutan-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715661
6-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769510

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769781) is 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCOc1cncc(-c2cc(N)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DZNIXGFHXIEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-2-20-8-3-7(5-17-6-8)9-4-10(16)19-11(18-9)12(13,14)15/h3-6H,2H2,1H3,(H2,16,18,19).
What are the key properties of 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-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 6-(5-ethoxy-3-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).