6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione

C11H9N3O4 — CID 135512469

IUPAC6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(N=O)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9N3O4/c1-6-2-4-7(5-3-6)14-10(16)8(13-18)9(15)12-11(14)17/h2-5,16H,1H3,(H,12,15,17)
InChIKeyFKFYGMIBPCYXDI-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.94
Rot. Bonds2

About 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione

6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione (PubChem CID 135512469) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione
PubChem CID135512469
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(N=O)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9N3O4/c1-6-2-4-7(5-3-6)14-10(16)8(13-18)9(15)12-11(14)17/h2-5,16H,1H3,(H,12,15,17)
InChIKeyFKFYGMIBPCYXDI-UHFFFAOYSA-N
XLogP0.94
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione (CID 135512469) is 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(N=O)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione?
The InChIKey is FKFYGMIBPCYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-6-2-4-7(5-3-6)14-10(16)8(13-18)9(15)12-11(14)17/h2-5,16H,1H3,(H,12,15,17).
What are the key properties of 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione?
6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione has a molecular weight of 247.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methylphenyl)-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 135512469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).