1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid

C11H16N4O3 — CID 137005102

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(c2nc[nH]c(=O)c2N)CCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6-4-15(3-2-7(6)11(17)18)9-8(12)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyYUSJLAHZJKYAGH-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.10
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid (PubChem CID 137005102) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid
PubChem CID137005102
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid
SMILESCC1CN(c2nc[nH]c(=O)c2N)CCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6-4-15(3-2-7(6)11(17)18)9-8(12)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyYUSJLAHZJKYAGH-UHFFFAOYSA-N
XLogP-0.10
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.10
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)-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid (CID 137005102) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid is CC1CN(c2nc[nH]c(=O)c2N)CCC1C(=O)O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid?
The InChIKey is YUSJLAHZJKYAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6-4-15(3-2-7(6)11(17)18)9-8(12)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.10, 2 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)-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 137005102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).