4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

C13H17N7O2 — CID 89442613

IUPAC4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(N)(C(=O)O)CC2)c1-c1cn[nH]c1
InChIInChI=1S/C13H17N7O2/c14-10-9(8-5-18-19-6-8)11(17-7-16-10)20-3-1-13(15,2-4-20)12(21)22/h5-7H,1-4,15H2,(H,18,19)(H,21,22)(H2,14,16,17)
InChIKeyLFZNGMFPCMRNTM-UHFFFAOYSA-N
MW303.33 g/mol
LogP-0.17
Rot. Bonds3

About 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid

4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 89442613) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID89442613
Molecular FormulaC13H17N7O2
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC Name4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESNc1ncnc(N2CCC(N)(C(=O)O)CC2)c1-c1cn[nH]c1
InChIInChI=1S/C13H17N7O2/c14-10-9(8-5-18-19-6-8)11(17-7-16-10)20-3-1-13(15,2-4-20)12(21)22/h5-7H,1-4,15H2,(H,18,19)(H,21,22)(H2,14,16,17)
InChIKeyLFZNGMFPCMRNTM-UHFFFAOYSA-N
XLogP-0.17
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 89442613) is 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is Nc1ncnc(N2CCC(N)(C(=O)O)CC2)c1-c1cn[nH]c1.
What is the InChIKey of 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is LFZNGMFPCMRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2/c14-10-9(8-5-18-19-6-8)11(17-7-16-10)20-3-1-13(15,2-4-20)12(21)22/h5-7H,1-4,15H2,(H,18,19)(H,21,22)(H2,14,16,17).
What are the key properties of 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 303.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-amino-5-(1H-pyrazol-4-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 89442613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).