1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride

C7H9ClF3N3 — CID 167311280

IUPAC1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1ncc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C7H8F3N3.ClH/c1-4(11)6-12-2-5(3-13-6)7(8,9)10;/h2-4H,11H2,1H3;1H
InChIKeyKCFFAHAIFHBVRQ-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.94
Rot. Bonds1

About 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride

1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride (PubChem CID 167311280) has the molecular formula C7H9ClF3N3 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride
PubChem CID167311280
Molecular FormulaC7H9ClF3N3
Molecular Weight227.62 g/mol
Exact Mass227.04
IUPAC Name1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1ncc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C7H8F3N3.ClH/c1-4(11)6-12-2-5(3-13-6)7(8,9)10;/h2-4H,11H2,1H3;1H
InChIKeyKCFFAHAIFHBVRQ-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride (CID 167311280) is 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride is CC(N)c1ncc(C(F)(F)F)cn1.Cl.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
The InChIKey is KCFFAHAIFHBVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3.ClH/c1-4(11)6-12-2-5(3-13-6)7(8,9)10;/h2-4H,11H2,1H3;1H.
What are the key properties of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride has a molecular weight of 227.62 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 167311280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).