4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid

C10H14N4O3 — CID 83870234

IUPAC4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCNCC2)[nH]c(=O)n1
InChIInChI=1S/C10H14N4O3/c11-7-5-6(13-9(17)14-7)10(8(15)16)1-3-12-4-2-10/h5,12H,1-4H2,(H,15,16)(H3,11,13,14,17)
InChIKeySAUZHVWVFPAEPP-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.94
Rot. Bonds2

About 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid

4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid (PubChem CID 83870234) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
PubChem CID83870234
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCNCC2)[nH]c(=O)n1
InChIInChI=1S/C10H14N4O3/c11-7-5-6(13-9(17)14-7)10(8(15)16)1-3-12-4-2-10/h5,12H,1-4H2,(H,15,16)(H3,11,13,14,17)
InChIKeySAUZHVWVFPAEPP-UHFFFAOYSA-N
XLogP-0.94
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid (CID 83870234) is 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid is Nc1cc(C2(C(=O)O)CCNCC2)[nH]c(=O)n1.
What is the InChIKey of 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The InChIKey is SAUZHVWVFPAEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-5-6(13-9(17)14-7)10(8(15)16)1-3-12-4-2-10/h5,12H,1-4H2,(H,15,16)(H3,11,13,14,17).
What are the key properties of 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.94, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83870234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).