2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride

C8H10ClN3O2 — CID 71743311

IUPAC2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(C2CNC2)nc1
InChIInChI=1S/C8H9N3O2.ClH/c12-8(13)6-3-10-7(11-4-6)5-1-9-2-5;/h3-5,9H,1-2H2,(H,12,13);1H
InChIKeyISEAZKCYGILVOL-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.28
Rot. Bonds2

About 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride

2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride (PubChem CID 71743311) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride
PubChem CID71743311
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc(C2CNC2)nc1
InChIInChI=1S/C8H9N3O2.ClH/c12-8(13)6-3-10-7(11-4-6)5-1-9-2-5;/h3-5,9H,1-2H2,(H,12,13);1H
InChIKeyISEAZKCYGILVOL-UHFFFAOYSA-N
XLogP0.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride (CID 71743311) is 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc(C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride?
The InChIKey is ISEAZKCYGILVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.ClH/c12-8(13)6-3-10-7(11-4-6)5-1-9-2-5;/h3-5,9H,1-2H2,(H,12,13);1H.
What are the key properties of 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride?
2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 71743311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).