1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid

C13H20N4O3 — CID 136958857

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H20N4O3/c1-2-3-13(12(19)20)4-6-17(7-5-13)10-9(14)11(18)16-8-15-10/h8H,2-7,14H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyURPFIDHQBMHHBQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.82
Rot. Bonds4

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 136958857) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID136958857
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H20N4O3/c1-2-3-13(12(19)20)4-6-17(7-5-13)10-9(14)11(18)16-8-15-10/h8H,2-7,14H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyURPFIDHQBMHHBQ-UHFFFAOYSA-N
XLogP0.82
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid (CID 136958857) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is URPFIDHQBMHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-13(12(19)20)4-6-17(7-5-13)10-9(14)11(18)16-8-15-10/h8H,2-7,14H2,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 136958857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).