(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

C9H12N4O2 — CID 97169312

IUPAC(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(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)/t7-/m0/s1
InChIKeyYUKAQLTYTLGJHI-ZETCQYMHSA-N
MW208.22 g/mol
LogP-0.66
Rot. Bonds2

About (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (PubChem CID 97169312) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
PubChem CID97169312
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(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)/t7-/m0/s1
InChIKeyYUKAQLTYTLGJHI-ZETCQYMHSA-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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Related Compounds

4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 71649700
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid
CID 82384540
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95721720
4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid
CID 83848846
(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
CID 119857927
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103

Frequently Asked Questions

What is the IUPAC name of (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (CID 97169312) is (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is O=C(O)[C@@H]1CN(c2ncccn2)CCN1.
What is the InChIKey of (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The InChIKey is YUKAQLTYTLGJHI-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
(2S)-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 (2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 97169312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).