pyrimidin-4-ylmethanamine;hydrochloride

C5H8ClN3 — CID 42614178

IUPACpyrimidin-4-ylmethanamine;hydrochloride
SMILESCl.NCc1ccncn1
InChIInChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H
InChIKeyIHYUPLGHQKJENA-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.36
Rot. Bonds1

About pyrimidin-4-ylmethanamine;hydrochloride

pyrimidin-4-ylmethanamine;hydrochloride (PubChem CID 42614178) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is pyrimidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Namepyrimidin-4-ylmethanamine;hydrochloride
PubChem CID42614178
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Namepyrimidin-4-ylmethanamine;hydrochloride
SMILESCl.NCc1ccncn1
InChIInChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H
InChIKeyIHYUPLGHQKJENA-UHFFFAOYSA-N
XLogP0.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-ylmethanamine;hydrochloride?
The IUPAC name of pyrimidin-4-ylmethanamine;hydrochloride (CID 42614178) is pyrimidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for pyrimidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for pyrimidin-4-ylmethanamine;hydrochloride is Cl.NCc1ccncn1.
What is the InChIKey of pyrimidin-4-ylmethanamine;hydrochloride?
The InChIKey is IHYUPLGHQKJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H.
What are the key properties of pyrimidin-4-ylmethanamine;hydrochloride?
pyrimidin-4-ylmethanamine;hydrochloride has a molecular weight of 145.59 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 42614178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).