3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine

C10H14F3N3O — CID 79869452

IUPAC3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
SMILESCCOc1cc(C(F)(F)F)nc(CCCN)n1
InChIInChI=1S/C10H14F3N3O/c1-2-17-9-6-7(10(11,12)13)15-8(16-9)4-3-5-14/h6H,2-5,14H2,1H3
InChIKeyGMVCFFQAFSXTRX-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.79
Rot. Bonds5

About 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine

3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine (PubChem CID 79869452) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
PubChem CID79869452
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
SMILESCCOc1cc(C(F)(F)F)nc(CCCN)n1
InChIInChI=1S/C10H14F3N3O/c1-2-17-9-6-7(10(11,12)13)15-8(16-9)4-3-5-14/h6H,2-5,14H2,1H3
InChIKeyGMVCFFQAFSXTRX-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine (CID 79869452) is 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine is CCOc1cc(C(F)(F)F)nc(CCCN)n1.
What is the InChIKey of 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is GMVCFFQAFSXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-17-9-6-7(10(11,12)13)15-8(16-9)4-3-5-14/h6H,2-5,14H2,1H3.
What are the key properties of 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine?
3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 79869452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).