6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione

C14H12N6O4 — CID 135767021

IUPAC6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2cnc3ccccn3c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H12N6O4/c1-18-12(22)10(13(23)19(2)14(18)24)17-16-8-7-15-9-5-3-4-6-20(9)11(8)21/h3-7,22H,1-2H3/b17-16+
InChIKeyXSAMYZDHJDIDAK-WUKNDPDISA-N
MW328.29 g/mol
LogP0.21
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione (PubChem CID 135767021) has the molecular formula C14H12N6O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
PubChem CID135767021
Molecular FormulaC14H12N6O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2cnc3ccccn3c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H12N6O4/c1-18-12(22)10(13(23)19(2)14(18)24)17-16-8-7-15-9-5-3-4-6-20(9)11(8)21/h3-7,22H,1-2H3/b17-16+
InChIKeyXSAMYZDHJDIDAK-WUKNDPDISA-N
XLogP0.21
TPSA123.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione
CID 158751448
3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
CID 135767018
6-hydroxy-1,3-dimethyl-5-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-dione
CID 102341280
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-pentan-3-ylisoindole-1,3-dione;nickel(2+)
CID 159066696
3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 158320819
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)
CID 158125702
1-benzyl-8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 156593072

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione (CID 135767021) is 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione is Cn1c(O)c(/N=N/c2cnc3ccccn3c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione?
The InChIKey is XSAMYZDHJDIDAK-WUKNDPDISA-N. The full InChI is InChI=1S/C14H12N6O4/c1-18-12(22)10(13(23)19(2)14(18)24)17-16-8-7-15-9-5-3-4-6-20(9)11(8)21/h3-7,22H,1-2H3/b17-16+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione has a molecular weight of 328.29 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).