pyrimidin-2-amine;hydrochloride

C4H6ClN3 — CID 21283515

IUPACpyrimidin-2-amine;hydrochloride
SMILESCl.Nc1ncccn1
InChIInChI=1S/C4H5N3.ClH/c5-4-6-2-1-3-7-4;/h1-3H,(H2,5,6,7);1H
InChIKeyYDVHAJGGRNBAER-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.48
Rot. Bonds

About pyrimidin-2-amine;hydrochloride

pyrimidin-2-amine;hydrochloride (PubChem CID 21283515) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Namepyrimidin-2-amine;hydrochloride
PubChem CID21283515
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Namepyrimidin-2-amine;hydrochloride
SMILESCl.Nc1ncccn1
InChIInChI=1S/C4H5N3.ClH/c5-4-6-2-1-3-7-4;/h1-3H,(H2,5,6,7);1H
InChIKeyYDVHAJGGRNBAER-UHFFFAOYSA-N
XLogP0.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;hydrochloride?
The IUPAC name of pyrimidin-2-amine;hydrochloride (CID 21283515) is pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for pyrimidin-2-amine;hydrochloride?
The canonical SMILES for pyrimidin-2-amine;hydrochloride is Cl.Nc1ncccn1.
What is the InChIKey of pyrimidin-2-amine;hydrochloride?
The InChIKey is YDVHAJGGRNBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.ClH/c5-4-6-2-1-3-7-4;/h1-3H,(H2,5,6,7);1H.
What are the key properties of pyrimidin-2-amine;hydrochloride?
pyrimidin-2-amine;hydrochloride has a molecular weight of 131.57 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 21283515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).