5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid

C12H14N4O2 — CID 103200838

IUPAC5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(C3CCCNC3)ccnc2n1
InChIInChI=1S/C12H14N4O2/c17-11(18)9-7-16-10(3-5-14-12(16)15-9)8-2-1-4-13-6-8/h3,5,7-8,13H,1-2,4,6H2,(H,17,18)
InChIKeyNBKPBYUWHNZORD-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.89
Rot. Bonds2

About 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid

5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 103200838) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID103200838
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(C3CCCNC3)ccnc2n1
InChIInChI=1S/C12H14N4O2/c17-11(18)9-7-16-10(3-5-14-12(16)15-9)8-2-1-4-13-6-8/h3,5,7-8,13H,1-2,4,6H2,(H,17,18)
InChIKeyNBKPBYUWHNZORD-UHFFFAOYSA-N
XLogP0.89
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
CID 46737117
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
CID 83818283
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
3-(2-cyclopentylpyrazol-3-yl)piperidine
CID 102547955
5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 10220749
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
3-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392631
3-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151926
2-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 117157168
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 103200838) is 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(C3CCCNC3)ccnc2n1.
What is the InChIKey of 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is NBKPBYUWHNZORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-11(18)9-7-16-10(3-5-14-12(16)15-9)8-2-1-4-13-6-8/h3,5,7-8,13H,1-2,4,6H2,(H,17,18).
What are the key properties of 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-ylimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).