6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione

C10H15N3O2 — CID 22618062

IUPAC6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCCCC2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-6-8(11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
InChIKeyZSAVAXUWEGKFOY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.05
Rot. Bonds2

About 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione

6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 22618062) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID22618062
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2CCCCC2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-6-8(11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
InChIKeyZSAVAXUWEGKFOY-UHFFFAOYSA-N
XLogP0.05
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione (CID 22618062) is 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1cc(CN2CCCCC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZSAVAXUWEGKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-6-8(11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15).
What are the key properties of 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22618062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).