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

C11H16N4O3 — CID 135451671

IUPAC6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-7(14-15-5-3-2-4-6-15)8-9(16)12-11(18)13-10(8)17/h2-6H2,1H3,(H3,12,13,16,17,18)/b14-7+
InChIKeyPJNFSGHIBPPHSZ-VGOFMYFVSA-N
MW252.27 g/mol
LogP-0.02
Rot. Bonds2

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

6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione (PubChem CID 135451671) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione
PubChem CID135451671
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3/c1-7(14-15-5-3-2-4-6-15)8-9(16)12-11(18)13-10(8)17/h2-6H2,1H3,(H3,12,13,16,17,18)/b14-7+
InChIKeyPJNFSGHIBPPHSZ-VGOFMYFVSA-N
XLogP-0.02
TPSA101.55 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 ≤ 5-0.02
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 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione (CID 135451671) is 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione is C/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PJNFSGHIBPPHSZ-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(14-15-5-3-2-4-6-15)8-9(16)12-11(18)13-10(8)17/h2-6H2,1H3,(H3,12,13,16,17,18)/b14-7+.
What are the key properties of 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135451671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).