ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine

C9H14F3N3O2 — CID 67833415

IUPACethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCO.CCOc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C7H8F3N3O.C2H6O/c1-2-14-5-3-4(7(8,9)10)12-6(11)13-5;1-2-3/h3H,2H2,1H3,(H2,11,12,13);3H,2H2,1H3
InChIKeyVKYBSLAVMSSEAY-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.47
Rot. Bonds2

About ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine

ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 67833415) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID67833415
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Nameethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCO.CCOc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C7H8F3N3O.C2H6O/c1-2-14-5-3-4(7(8,9)10)12-6(11)13-5;1-2-3/h3H,2H2,1H3,(H2,11,12,13);3H,2H2,1H3
InChIKeyVKYBSLAVMSSEAY-UHFFFAOYSA-N
XLogP1.47
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 67833415) is ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine is CCO.CCOc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VKYBSLAVMSSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.C2H6O/c1-2-14-5-3-4(7(8,9)10)12-6(11)13-5;1-2-3/h3H,2H2,1H3,(H2,11,12,13);3H,2H2,1H3.
What are the key properties of ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine?
ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 253.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 67833415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).