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

C7H10ClN3 — CID 68761565

IUPAC2-(azetidin-3-yl)pyrimidine;hydrochloride
SMILESCl.c1cnc(C2CNC2)nc1
InChIInChI=1S/C7H9N3.ClH/c1-2-9-7(10-3-1)6-4-8-5-6;/h1-3,6,8H,4-5H2;1H
InChIKeyKSRKVXZNSXUWFA-UHFFFAOYSA-N
MW171.63 g/mol
LogP0.59
Rot. Bonds1

About 2-(azetidin-3-yl)pyrimidine;hydrochloride

2-(azetidin-3-yl)pyrimidine;hydrochloride (PubChem CID 68761565) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(azetidin-3-yl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)pyrimidine;hydrochloride
PubChem CID68761565
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name2-(azetidin-3-yl)pyrimidine;hydrochloride
SMILESCl.c1cnc(C2CNC2)nc1
InChIInChI=1S/C7H9N3.ClH/c1-2-9-7(10-3-1)6-4-8-5-6;/h1-3,6,8H,4-5H2;1H
InChIKeyKSRKVXZNSXUWFA-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 2-(azetidin-3-yl)pyrimidine;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)pyrimidine;hydrochloride (CID 68761565) is 2-(azetidin-3-yl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)pyrimidine;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)pyrimidine;hydrochloride is Cl.c1cnc(C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yl)pyrimidine;hydrochloride?
The InChIKey is KSRKVXZNSXUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.ClH/c1-2-9-7(10-3-1)6-4-8-5-6;/h1-3,6,8H,4-5H2;1H.
What are the key properties of 2-(azetidin-3-yl)pyrimidine;hydrochloride?
2-(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 2-(azetidin-3-yl)pyrimidine;hydrochloride is sourced from PubChem (CID 68761565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).