5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C20H14N4O6 — CID 54687617

IUPAC5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c([N+](=O)[O-])c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C20H14N4O6/c1-21-17-14(16(25)15(19(21)27)24(29)30)18(26)23(13-10-6-3-7-11-13)20(28)22(17)12-8-4-2-5-9-12/h2-11,25H,1H3
InChIKeyDLIDALHUSAXDCZ-UHFFFAOYSA-N
MW406.35 g/mol
LogP1.45
Rot. Bonds3

About 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 54687617) has the molecular formula C20H14N4O6 and a molecular weight of 406.35 g/mol. Its IUPAC name is 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID54687617
Molecular FormulaC20H14N4O6
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC Name5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c([N+](=O)[O-])c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C20H14N4O6/c1-21-17-14(16(25)15(19(21)27)24(29)30)18(26)23(13-10-6-3-7-11-13)20(28)22(17)12-8-4-2-5-9-12/h2-11,25H,1H3
InChIKeyDLIDALHUSAXDCZ-UHFFFAOYSA-N
XLogP1.45
TPSA129.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 54687617) is 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c([N+](=O)[O-])c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is DLIDALHUSAXDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6/c1-21-17-14(16(25)15(19(21)27)24(29)30)18(26)23(13-10-6-3-7-11-13)20(28)22(17)12-8-4-2-5-9-12/h2-11,25H,1H3.
What are the key properties of 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 406.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methyl-6-nitro-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 54687617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).