[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride

C7H9ClF3N3O — CID 86277000

IUPAC[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C7H8F3N3O.ClH/c8-7(9,10)3-14-6-1-5(2-11)12-4-13-6;/h1,4H,2-3,11H2;1H
InChIKeyJBJLHTIWWZUFKE-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.30
Rot. Bonds3

About [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride

[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 86277000) has the molecular formula C7H9ClF3N3O and a molecular weight of 243.62 g/mol. Its IUPAC name is [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride
PubChem CID86277000
Molecular FormulaC7H9ClF3N3O
Molecular Weight243.62 g/mol
Exact Mass243.04
IUPAC Name[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C7H8F3N3O.ClH/c8-7(9,10)3-14-6-1-5(2-11)12-4-13-6;/h1,4H,2-3,11H2;1H
InChIKeyJBJLHTIWWZUFKE-UHFFFAOYSA-N
XLogP1.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride (CID 86277000) is [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride is Cl.NCc1cc(OCC(F)(F)F)ncn1.
What is the InChIKey of [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is JBJLHTIWWZUFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.ClH/c8-7(9,10)3-14-6-1-5(2-11)12-4-13-6;/h1,4H,2-3,11H2;1H.
What are the key properties of [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride?
[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 243.62 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 86277000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).