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

C13H20N4O3 — CID 137133027

IUPAC4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid
SMILESCc1nc(N)c(CCC2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O3/c1-8-15-11(14)10(12(18)16-8)3-2-9-4-6-17(7-5-9)13(19)20/h9H,2-7H2,1H3,(H,19,20)(H3,14,15,16,18)
InChIKeyYTNPVINFXFULNU-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.98
Rot. Bonds3

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

4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid (PubChem CID 137133027) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid
PubChem CID137133027
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid
SMILESCc1nc(N)c(CCC2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O3/c1-8-15-11(14)10(12(18)16-8)3-2-9-4-6-17(7-5-9)13(19)20/h9H,2-7H2,1H3,(H,19,20)(H3,14,15,16,18)
InChIKeyYTNPVINFXFULNU-UHFFFAOYSA-N
XLogP0.98
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid (CID 137133027) is 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid is Cc1nc(N)c(CCC2CCN(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid?
The InChIKey is YTNPVINFXFULNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-15-11(14)10(12(18)16-8)3-2-9-4-6-17(7-5-9)13(19)20/h9H,2-7H2,1H3,(H,19,20)(H3,14,15,16,18).
What are the key properties of 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid?
4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).