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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Related Compounds

CID 1947637
CID 1947637
CID 659624
CID 659624
CID 665243
CID 665243
CID 1599207
CID 1599207
CID 1607570
CID 1607570
CID 2939231
CID 2939231
CID 3368525
CID 3368525
CID 4394541
CID 4394541
CID 135472775
CID 135472775
CID 1914257
CID 1914257
CID 1616228
CID 1616228
CID 135469873
CID 135469873

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).