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

C23H18N4O3 — CID 135726525

IUPAC6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione
SMILESCc1ccc(/N=N/c2c(O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H18N4O3/c1-16-12-14-17(15-13-16)24-25-20-21(28)26(18-8-4-2-5-9-18)23(30)27(22(20)29)19-10-6-3-7-11-19/h2-15,28H,1H3/b25-24+
InChIKeyKELVXYZZYVCZSP-OCOZRVBESA-N
MW398.42 g/mol
LogP4.42
Rot. Bonds4

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

6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione (PubChem CID 135726525) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione
PubChem CID135726525
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione
SMILESCc1ccc(/N=N/c2c(O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H18N4O3/c1-16-12-14-17(15-13-16)24-25-20-21(28)26(18-8-4-2-5-9-18)23(30)27(22(20)29)19-10-6-3-7-11-19/h2-15,28H,1H3/b25-24+
InChIKeyKELVXYZZYVCZSP-OCOZRVBESA-N
XLogP4.42
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.42
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 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione (CID 135726525) is 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione is Cc1ccc(/N=N/c2c(O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione?
The InChIKey is KELVXYZZYVCZSP-OCOZRVBESA-N. The full InChI is InChI=1S/C23H18N4O3/c1-16-12-14-17(15-13-16)24-25-20-21(28)26(18-8-4-2-5-9-18)23(30)27(22(20)29)19-10-6-3-7-11-19/h2-15,28H,1H3/b25-24+.
What are the key properties of 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione?
6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione has a molecular weight of 398.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione is sourced from PubChem (CID 135726525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).