5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C12H18N4O3 — CID 135420772

IUPAC5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-2-8(15-16-6-4-3-5-7-16)9-10(17)13-12(19)14-11(9)18/h2-7H2,1H3,(H3,13,14,17,18,19)/b15-8+
InChIKeyVFCDZXVHRVTWRP-OVCLIPMQSA-N
MW266.30 g/mol
LogP0.37
Rot. Bonds3

About 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 135420772) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID135420772
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H18N4O3/c1-2-8(15-16-6-4-3-5-7-16)9-10(17)13-12(19)14-11(9)18/h2-7H2,1H3,(H3,13,14,17,18,19)/b15-8+
InChIKeyVFCDZXVHRVTWRP-OVCLIPMQSA-N
XLogP0.37
TPSA101.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 135420772) is 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is VFCDZXVHRVTWRP-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-8(15-16-6-4-3-5-7-16)9-10(17)13-12(19)14-11(9)18/h2-7H2,1H3,(H3,13,14,17,18,19)/b15-8+.
What are the key properties of 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-C-ethyl-N-piperidin-1-ylcarbonimidoyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135420772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).