2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride

C10H15ClN4O2 — CID 17221248

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O2.ClH/c15-9(16)8-13-4-6-14(7-5-13)10-11-2-1-3-12-10;/h1-3H,4-8H2,(H,15,16);1H
InChIKeySCRRKVKGTZHTFC-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.10
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride

2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride (PubChem CID 17221248) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride
PubChem CID17221248
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O2.ClH/c15-9(16)8-13-4-6-14(7-5-13)10-11-2-1-3-12-10;/h1-3H,4-8H2,(H,15,16);1H
InChIKeySCRRKVKGTZHTFC-UHFFFAOYSA-N
XLogP0.10
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride (CID 17221248) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride is Cl.O=C(O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride?
The InChIKey is SCRRKVKGTZHTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.ClH/c15-9(16)8-13-4-6-14(7-5-13)10-11-2-1-3-12-10;/h1-3H,4-8H2,(H,15,16);1H.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride?
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 17221248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).