1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione

C15H18N4O3 — CID 135672488

IUPAC1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
SMILESCCn1c(O)c(/N=N/c2ccc(C)cc2)c(=O)n(CC)c1=O
InChIInChI=1S/C15H18N4O3/c1-4-18-13(20)12(14(21)19(5-2)15(18)22)17-16-11-8-6-10(3)7-9-11/h6-9,20H,4-5H2,1-3H3/b17-16+
InChIKeyFZPJIRYCRXOSOX-WUKNDPDISA-N
MW302.33 g/mol
LogP2.48
Rot. Bonds4

About 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione

1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione (PubChem CID 135672488) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
PubChem CID135672488
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
SMILESCCn1c(O)c(/N=N/c2ccc(C)cc2)c(=O)n(CC)c1=O
InChIInChI=1S/C15H18N4O3/c1-4-18-13(20)12(14(21)19(5-2)15(18)22)17-16-11-8-6-10(3)7-9-11/h6-9,20H,4-5H2,1-3H3/b17-16+
InChIKeyFZPJIRYCRXOSOX-WUKNDPDISA-N
XLogP2.48
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione (CID 135672488) is 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione is CCn1c(O)c(/N=N/c2ccc(C)cc2)c(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
The InChIKey is FZPJIRYCRXOSOX-WUKNDPDISA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-18-13(20)12(14(21)19(5-2)15(18)22)17-16-11-8-6-10(3)7-9-11/h6-9,20H,4-5H2,1-3H3/b17-16+.
What are the key properties of 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione?
1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135672488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).