1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

C13H16N6O2 — CID 19154346

IUPAC1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1c(N2CCC(C(=O)O)CC2)ncnc1-n1ccnc1
InChIInChI=1S/C13H16N6O2/c14-10-11(18-4-1-9(2-5-18)13(20)21)16-7-17-12(10)19-6-3-15-8-19/h3,6-9H,1-2,4-5,14H2,(H,20,21)
InChIKeyXMQWWXYMCGGFSC-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.55
Rot. Bonds3

About 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid

1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 19154346) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID19154346
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1c(N2CCC(C(=O)O)CC2)ncnc1-n1ccnc1
InChIInChI=1S/C13H16N6O2/c14-10-11(18-4-1-9(2-5-18)13(20)21)16-7-17-12(10)19-6-3-15-8-19/h3,6-9H,1-2,4-5,14H2,(H,20,21)
InChIKeyXMQWWXYMCGGFSC-UHFFFAOYSA-N
XLogP0.55
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 19154346) is 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1c(N2CCC(C(=O)O)CC2)ncnc1-n1ccnc1.
What is the InChIKey of 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is XMQWWXYMCGGFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-10-11(18-4-1-9(2-5-18)13(20)21)16-7-17-12(10)19-6-3-15-8-19/h3,6-9H,1-2,4-5,14H2,(H,20,21).
What are the key properties of 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 19154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).