4-pyrimidin-2-ylpiperazine-2-carboxylic acid

C9H12N4O2 — CID 58735966

IUPAC4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ncccn2)CCN1
InChIInChI=1S/C9H12N4O2/c14-8(15)7-6-13(5-4-10-7)9-11-2-1-3-12-9/h1-3,7,10H,4-6H2,(H,14,15)
InChIKeyYUKAQLTYTLGJHI-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.66
Rot. Bonds2

About 4-pyrimidin-2-ylpiperazine-2-carboxylic acid

4-pyrimidin-2-ylpiperazine-2-carboxylic acid (PubChem CID 58735966) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-pyrimidin-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-pyrimidin-2-ylpiperazine-2-carboxylic acid
PubChem CID58735966
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ncccn2)CCN1
InChIInChI=1S/C9H12N4O2/c14-8(15)7-6-13(5-4-10-7)9-11-2-1-3-12-9/h1-3,7,10H,4-6H2,(H,14,15)
InChIKeyYUKAQLTYTLGJHI-UHFFFAOYSA-N
XLogP-0.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of 4-pyrimidin-2-ylpiperazine-2-carboxylic acid (CID 58735966) is 4-pyrimidin-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-pyrimidin-2-ylpiperazine-2-carboxylic acid is O=C(O)C1CN(c2ncccn2)CCN1.
What is the InChIKey of 4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The InChIKey is YUKAQLTYTLGJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8(15)7-6-13(5-4-10-7)9-11-2-1-3-12-9/h1-3,7,10H,4-6H2,(H,14,15).
What are the key properties of 4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
4-pyrimidin-2-ylpiperazine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 58735966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).