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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Related Compounds

3-[(1,3-diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)diazenyl]-N,N-diethylbenzenesulfonamide
CID 135672500
6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione
CID 135726525
1,4-diethyl-2-hydroxy-6-oxo-5-phenyldiazenylpyridine-3-carbonitrile
CID 137199809
5-ethynyl-1-hexyl-6-hydroxy-4-methyl-3-[(4-methylphenyl)diazenyl]pyridin-2-one
CID 170226250
3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
CID 4311773
bis(4-methylphenyl)diazene
CID 10389
6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135837405
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
1-butyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835426
1,3-diethyl-4-hydroxy-7-methylquinolin-2-one
CID 54703297
1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
CID 135473752
5-[(5-acetyl-1,2-oxazol-3-yl)diazenyl]-1,3-diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 143392175

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).