1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride

C6H9ClFN3 — CID 53407050

IUPAC1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncc(F)cn1.Cl
InChIInChI=1S/C6H8FN3.ClH/c1-4(8)6-9-2-5(7)3-10-6;/h2-4H,8H2,1H3;1H
InChIKeyFAXIYWZAHFHREE-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.06
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride

1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride (PubChem CID 53407050) has the molecular formula C6H9ClFN3 and a molecular weight of 177.61 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride
PubChem CID53407050
Molecular FormulaC6H9ClFN3
Molecular Weight177.61 g/mol
Exact Mass177.05
IUPAC Name1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncc(F)cn1.Cl
InChIInChI=1S/C6H8FN3.ClH/c1-4(8)6-9-2-5(7)3-10-6;/h2-4H,8H2,1H3;1H
InChIKeyFAXIYWZAHFHREE-UHFFFAOYSA-N
XLogP1.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride (CID 53407050) is 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride is CC(N)c1ncc(F)cn1.Cl.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride?
The InChIKey is FAXIYWZAHFHREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3.ClH/c1-4(8)6-9-2-5(7)3-10-6;/h2-4H,8H2,1H3;1H.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride?
1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride has a molecular weight of 177.61 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 53407050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).