(5-fluoropyrimidin-2-yl)methanamine;hydrochloride

C5H7ClFN3 — CID 91844430

IUPAC(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(F)cn1
InChIInChI=1S/C5H6FN3.ClH/c6-4-2-8-5(1-7)9-3-4;/h2-3H,1,7H2;1H
InChIKeyVICRVBJGXJEXSN-UHFFFAOYSA-N
MW163.58 g/mol
LogP0.50
Rot. Bonds1

About (5-fluoropyrimidin-2-yl)methanamine;hydrochloride

(5-fluoropyrimidin-2-yl)methanamine;hydrochloride (PubChem CID 91844430) has the molecular formula C5H7ClFN3 and a molecular weight of 163.58 g/mol. Its IUPAC name is (5-fluoropyrimidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
PubChem CID91844430
Molecular FormulaC5H7ClFN3
Molecular Weight163.58 g/mol
Exact Mass163.03
IUPAC Name(5-fluoropyrimidin-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ncc(F)cn1
InChIInChI=1S/C5H6FN3.ClH/c6-4-2-8-5(1-7)9-3-4;/h2-3H,1,7H2;1H
InChIKeyVICRVBJGXJEXSN-UHFFFAOYSA-N
XLogP0.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.58
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-fluoropyrimidin-2-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoropyrimidin-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-fluoropyrimidin-2-yl)methanamine;hydrochloride (CID 91844430) is (5-fluoropyrimidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-fluoropyrimidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-fluoropyrimidin-2-yl)methanamine;hydrochloride is Cl.NCc1ncc(F)cn1.
What is the InChIKey of (5-fluoropyrimidin-2-yl)methanamine;hydrochloride?
The InChIKey is VICRVBJGXJEXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3.ClH/c6-4-2-8-5(1-7)9-3-4;/h2-3H,1,7H2;1H.
What are the key properties of (5-fluoropyrimidin-2-yl)methanamine;hydrochloride?
(5-fluoropyrimidin-2-yl)methanamine;hydrochloride has a molecular weight of 163.58 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropyrimidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 91844430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).