pyrimidin-5-ylmethanamine;dihydrochloride

C5H9Cl2N3 — CID 86346472

IUPACpyrimidin-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cncnc1
InChIInChI=1S/C5H7N3.2ClH/c6-1-5-2-7-4-8-3-5;;/h2-4H,1,6H2;2*1H
InChIKeyGGKWSOAZVMALEC-UHFFFAOYSA-N
MW182.05 g/mol
LogP0.78
Rot. Bonds1

About pyrimidin-5-ylmethanamine;dihydrochloride

pyrimidin-5-ylmethanamine;dihydrochloride (PubChem CID 86346472) has the molecular formula C5H9Cl2N3 and a molecular weight of 182.05 g/mol. Its IUPAC name is pyrimidin-5-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Namepyrimidin-5-ylmethanamine;dihydrochloride
PubChem CID86346472
Molecular FormulaC5H9Cl2N3
Molecular Weight182.05 g/mol
Exact Mass181.02
IUPAC Namepyrimidin-5-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cncnc1
InChIInChI=1S/C5H7N3.2ClH/c6-1-5-2-7-4-8-3-5;;/h2-4H,1,6H2;2*1H
InChIKeyGGKWSOAZVMALEC-UHFFFAOYSA-N
XLogP0.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-ylmethanamine;dihydrochloride?
The IUPAC name of pyrimidin-5-ylmethanamine;dihydrochloride (CID 86346472) is pyrimidin-5-ylmethanamine;dihydrochloride.
What is the SMILES notation for pyrimidin-5-ylmethanamine;dihydrochloride?
The canonical SMILES for pyrimidin-5-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cncnc1.
What is the InChIKey of pyrimidin-5-ylmethanamine;dihydrochloride?
The InChIKey is GGKWSOAZVMALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.2ClH/c6-1-5-2-7-4-8-3-5;;/h2-4H,1,6H2;2*1H.
What are the key properties of pyrimidin-5-ylmethanamine;dihydrochloride?
pyrimidin-5-ylmethanamine;dihydrochloride has a molecular weight of 182.05 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-ylmethanamine;dihydrochloride is sourced from PubChem (CID 86346472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).