6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione

C19H24N4O3 — CID 135420689

IUPAC6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
SMILESCC(C)c1ccc(-n2c(O)c(/C=N/N3CCCCC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-13(2)14-6-8-15(9-7-14)23-18(25)16(17(24)21-19(23)26)12-20-22-10-4-3-5-11-22/h6-9,12-13,25H,3-5,10-11H2,1-2H3,(H,21,24,26)/b20-12+
InChIKeyLIAMPINFRXKBOE-UDWIEESQSA-N
MW356.43 g/mol
LogP2.17
Rot. Bonds4

About 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione

6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione (PubChem CID 135420689) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
PubChem CID135420689
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
SMILESCC(C)c1ccc(-n2c(O)c(/C=N/N3CCCCC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-13(2)14-6-8-15(9-7-14)23-18(25)16(17(24)21-19(23)26)12-20-22-10-4-3-5-11-22/h6-9,12-13,25H,3-5,10-11H2,1-2H3,(H,21,24,26)/b20-12+
InChIKeyLIAMPINFRXKBOE-UDWIEESQSA-N
XLogP2.17
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione (CID 135420689) is 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione is CC(C)c1ccc(-n2c(O)c(/C=N/N3CCCCC3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione?
The InChIKey is LIAMPINFRXKBOE-UDWIEESQSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)14-6-8-15(9-7-14)23-18(25)16(17(24)21-19(23)26)12-20-22-10-4-3-5-11-22/h6-9,12-13,25H,3-5,10-11H2,1-2H3,(H,21,24,26)/b20-12+.
What are the key properties of 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135420689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).