pyrimidin-5-ylmethanimine;hydrochloride

C5H6ClN3 — CID 175125065

IUPACpyrimidin-5-ylmethanimine;hydrochloride
SMILESCl.[H]/N=C/c1cncnc1
InChIInChI=1S/C5H5N3.ClH/c6-1-5-2-7-4-8-3-5;/h1-4,6H;1H/b6-1+;
InChIKeySRGRHDYCUZBQCQ-RRWNKNEUSA-N
MW143.58 g/mol
LogP0.90
Rot. Bonds1

About pyrimidin-5-ylmethanimine;hydrochloride

pyrimidin-5-ylmethanimine;hydrochloride (PubChem CID 175125065) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is pyrimidin-5-ylmethanimine;hydrochloride.

Molecular Properties

Compound Namepyrimidin-5-ylmethanimine;hydrochloride
PubChem CID175125065
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Namepyrimidin-5-ylmethanimine;hydrochloride
SMILESCl.[H]/N=C/c1cncnc1
InChIInChI=1S/C5H5N3.ClH/c6-1-5-2-7-4-8-3-5;/h1-4,6H;1H/b6-1+;
InChIKeySRGRHDYCUZBQCQ-RRWNKNEUSA-N
XLogP0.90
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-ylmethanimine;hydrochloride?
The IUPAC name of pyrimidin-5-ylmethanimine;hydrochloride (CID 175125065) is pyrimidin-5-ylmethanimine;hydrochloride.
What is the SMILES notation for pyrimidin-5-ylmethanimine;hydrochloride?
The canonical SMILES for pyrimidin-5-ylmethanimine;hydrochloride is Cl.[H]/N=C/c1cncnc1.
What is the InChIKey of pyrimidin-5-ylmethanimine;hydrochloride?
The InChIKey is SRGRHDYCUZBQCQ-RRWNKNEUSA-N. The full InChI is InChI=1S/C5H5N3.ClH/c6-1-5-2-7-4-8-3-5;/h1-4,6H;1H/b6-1+;.
What are the key properties of pyrimidin-5-ylmethanimine;hydrochloride?
pyrimidin-5-ylmethanimine;hydrochloride has a molecular weight of 143.58 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-ylmethanimine;hydrochloride is sourced from PubChem (CID 175125065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).