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

C7H10Cl2F3N3 — CID 167724087

IUPAC1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride
SMILESCC(N)c1ncc(C(F)(F)F)cn1.Cl.Cl
InChIInChI=1S/C7H8F3N3.2ClH/c1-4(11)6-12-2-5(3-13-6)7(8,9)10;;/h2-4H,11H2,1H3;2*1H
InChIKeyRTFIVHYLFHDYEA-UHFFFAOYSA-N
MW264.08 g/mol
LogP2.36
Rot. Bonds1

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

1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride (PubChem CID 167724087) has the molecular formula C7H10Cl2F3N3 and a molecular weight of 264.08 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride
PubChem CID167724087
Molecular FormulaC7H10Cl2F3N3
Molecular Weight264.08 g/mol
Exact Mass263.02
IUPAC Name1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride
SMILESCC(N)c1ncc(C(F)(F)F)cn1.Cl.Cl
InChIInChI=1S/C7H8F3N3.2ClH/c1-4(11)6-12-2-5(3-13-6)7(8,9)10;;/h2-4H,11H2,1H3;2*1H
InChIKeyRTFIVHYLFHDYEA-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 52.36
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;dihydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride (CID 167724087) is 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride is CC(N)c1ncc(C(F)(F)F)cn1.Cl.Cl.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride?
The InChIKey is RTFIVHYLFHDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3.2ClH/c1-4(11)6-12-2-5(3-13-6)7(8,9)10;;/h2-4H,11H2,1H3;2*1H.
What are the key properties of 1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride?
1-[5-(trifluoromethyl)pyrimidin-2-yl]ethanamine;dihydrochloride has a molecular weight of 264.08 g/mol, XLogP of 2.36, 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;dihydrochloride is sourced from PubChem (CID 167724087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).