1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione

C15H18N4O4 — CID 135469987

IUPAC1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESCCc1ccc(-n2c(O)c(/C=N/NCCO)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H18N4O4/c1-2-10-3-5-11(6-4-10)19-14(22)12(9-17-16-7-8-20)13(21)18-15(19)23/h3-6,9,16,20,22H,2,7-8H2,1H3,(H,18,21,23)/b17-9+
InChIKeyHYGYQRLXSOEUHQ-RQZCQDPDSA-N
MW318.33 g/mol
LogP-0.29
Rot. Bonds6

About 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione

1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione (PubChem CID 135469987) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
PubChem CID135469987
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
SMILESCCc1ccc(-n2c(O)c(/C=N/NCCO)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H18N4O4/c1-2-10-3-5-11(6-4-10)19-14(22)12(9-17-16-7-8-20)13(21)18-15(19)23/h3-6,9,16,20,22H,2,7-8H2,1H3,(H,18,21,23)/b17-9+
InChIKeyHYGYQRLXSOEUHQ-RQZCQDPDSA-N
XLogP-0.29
TPSA119.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione (CID 135469987) is 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione is CCc1ccc(-n2c(O)c(/C=N/NCCO)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione?
The InChIKey is HYGYQRLXSOEUHQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-2-10-3-5-11(6-4-10)19-14(22)12(9-17-16-7-8-20)13(21)18-15(19)23/h3-6,9,16,20,22H,2,7-8H2,1H3,(H,18,21,23)/b17-9+.
What are the key properties of 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione?
1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione has a molecular weight of 318.33 g/mol, XLogP of -0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-6-hydroxy-5-[(E)-(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135469987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).