5-(azetidin-3-yl)pyrimidine;hydrochloride

C7H10ClN3 — CID 68757896

IUPAC5-(azetidin-3-yl)pyrimidine;hydrochloride
SMILESCl.c1ncc(C2CNC2)cn1
InChIInChI=1S/C7H9N3.ClH/c1-6(2-8-1)7-3-9-5-10-4-7;/h3-6,8H,1-2H2;1H
InChIKeyGPWWXYGWYNWFNM-UHFFFAOYSA-N
MW171.63 g/mol
LogP0.59
Rot. Bonds1

About 5-(azetidin-3-yl)pyrimidine;hydrochloride

5-(azetidin-3-yl)pyrimidine;hydrochloride (PubChem CID 68757896) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-(azetidin-3-yl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)pyrimidine;hydrochloride
PubChem CID68757896
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-(azetidin-3-yl)pyrimidine;hydrochloride
SMILESCl.c1ncc(C2CNC2)cn1
InChIInChI=1S/C7H9N3.ClH/c1-6(2-8-1)7-3-9-5-10-4-7;/h3-6,8H,1-2H2;1H
InChIKeyGPWWXYGWYNWFNM-UHFFFAOYSA-N
XLogP0.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)pyrimidine;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)pyrimidine;hydrochloride (CID 68757896) is 5-(azetidin-3-yl)pyrimidine;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)pyrimidine;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)pyrimidine;hydrochloride is Cl.c1ncc(C2CNC2)cn1.
What is the InChIKey of 5-(azetidin-3-yl)pyrimidine;hydrochloride?
The InChIKey is GPWWXYGWYNWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.ClH/c1-6(2-8-1)7-3-9-5-10-4-7;/h3-6,8H,1-2H2;1H.
What are the key properties of 5-(azetidin-3-yl)pyrimidine;hydrochloride?
5-(azetidin-3-yl)pyrimidine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)pyrimidine;hydrochloride is sourced from PubChem (CID 68757896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).