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

C10H14N4O2 — CID 17221249

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O2/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)
InChIKeyJZZFCZQYRLBPPQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.32
Rot. Bonds3

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

2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid (PubChem CID 17221249) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
PubChem CID17221249
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H14N4O2/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)
InChIKeyJZZFCZQYRLBPPQ-UHFFFAOYSA-N
XLogP-0.32
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.32
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?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid (CID 17221249) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid is O=C(O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is JZZFCZQYRLBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/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).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid?
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 222.25 g/mol, XLogP of -0.32, 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 is sourced from PubChem (CID 17221249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).