5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione

C11H16N4O4 — CID 63810983

IUPAC5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCN2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4/c16-10-9(15(18)19)8-14(11(17)12-10)7-6-13-4-2-1-3-5-13/h8H,1-7H2,(H,12,16,17)
InChIKeyKSWXCDFRRBRXCV-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.07
Rot. Bonds4

About 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione

5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 63810983) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID63810983
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCN2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4/c16-10-9(15(18)19)8-14(11(17)12-10)7-6-13-4-2-1-3-5-13/h8H,1-7H2,(H,12,16,17)
InChIKeyKSWXCDFRRBRXCV-UHFFFAOYSA-N
XLogP-0.07
TPSA101.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione (CID 63810983) is 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCN2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is KSWXCDFRRBRXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-10-9(15(18)19)8-14(11(17)12-10)7-6-13-4-2-1-3-5-13/h8H,1-7H2,(H,12,16,17).
What are the key properties of 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63810983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).