4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide

C12H11N5O4 — CID 136651148

IUPAC4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N5O4/c1-13-9(18)6-2-4-7(5-3-6)16-17-8-10(19)14-12(21)15-11(8)20/h2-5H,1H3,(H,13,18)(H3,14,15,19,20,21)/b17-16+
InChIKeyZOFVZUXBSCESSL-WUKNDPDISA-N
MW289.25 g/mol
LogP0.54
Rot. Bonds3

About 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide

4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide (PubChem CID 136651148) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
PubChem CID136651148
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N5O4/c1-13-9(18)6-2-4-7(5-3-6)16-17-8-10(19)14-12(21)15-11(8)20/h2-5H,1H3,(H,13,18)(H3,14,15,19,20,21)/b17-16+
InChIKeyZOFVZUXBSCESSL-WUKNDPDISA-N
XLogP0.54
TPSA139.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2863650
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
methyl 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 939169
3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-4-methylbenzoate
CID 2125591
2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
4-chloro-3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764242
N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide
CID 2326914
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4615917
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
CID 135912944
7-[[4-[[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoyl]amino]-5-(2-hydroxyethoxy)-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 136650932
5-[(4-ethoxyphenyl)diazenyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 920944

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide?
The IUPAC name of 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide (CID 136651148) is 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide?
The canonical SMILES for 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide is CNC(=O)c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide?
The InChIKey is ZOFVZUXBSCESSL-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11N5O4/c1-13-9(18)6-2-4-7(5-3-6)16-17-8-10(19)14-12(21)15-11(8)20/h2-5H,1H3,(H,13,18)(H3,14,15,19,20,21)/b17-16+.
What are the key properties of 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide?
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide has a molecular weight of 289.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide is sourced from PubChem (CID 136651148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).