1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid

C13H19N3O3 — CID 136740917

IUPAC1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCc1c(C)nc(N2CCCCC2C(=O)O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-3-9-8(2)14-13(15-11(9)17)16-7-5-4-6-10(16)12(18)19/h10H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyPCQDZVWYURWTDJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds3

About 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid

1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 136740917) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID136740917
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCc1c(C)nc(N2CCCCC2C(=O)O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-3-9-8(2)14-13(15-11(9)17)16-7-5-4-6-10(16)12(18)19/h10H,3-7H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyPCQDZVWYURWTDJ-UHFFFAOYSA-N
XLogP1.08
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid (CID 136740917) is 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid is CCc1c(C)nc(N2CCCCC2C(=O)O)[nH]c1=O.
What is the InChIKey of 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is PCQDZVWYURWTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-9-8(2)14-13(15-11(9)17)16-7-5-4-6-10(16)12(18)19/h10H,3-7H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136740917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).