5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C16H16N4O7 — CID 25252453

IUPAC5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N4O7/c1-18-14-12(15(23)19(2)16(18)24)8(6-11(21)17-14)7-4-9(20(25)26)13(22)10(5-7)27-3/h4-5,8,22H,6H2,1-3H3,(H,17,21)
InChIKeyJRLJQUOEOXGODF-UHFFFAOYSA-N
MW376.33 g/mol
LogP0.18
Rot. Bonds3

About 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 25252453) has the molecular formula C16H16N4O7 and a molecular weight of 376.33 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID25252453
Molecular FormulaC16H16N4O7
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H16N4O7/c1-18-14-12(15(23)19(2)16(18)24)8(6-11(21)17-14)7-4-9(20(25)26)13(22)10(5-7)27-3/h4-5,8,22H,6H2,1-3H3,(H,17,21)
InChIKeyJRLJQUOEOXGODF-UHFFFAOYSA-N
XLogP0.18
TPSA145.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
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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Related Compounds

(5R)-5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 40774601
5-(4-hydroxy-3,5-dimethoxyphenyl)-1-methyl-2-sulfanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 4910654
(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 28789943
7-(4-tert-butylphenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17065097
(4S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)imidazolidin-2-one
CID 171252740
(4S,7R)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 28689437
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135546803
methyl (6S)-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1310374
(4S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428479
methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2917100
4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,6-diphenyl-3,4-dihydro-1H-pyridin-2-one
CID 56644284
dimethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1191975

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 25252453) is 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O.
What is the InChIKey of 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is JRLJQUOEOXGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O7/c1-18-14-12(15(23)19(2)16(18)24)8(6-11(21)17-14)7-4-9(20(25)26)13(22)10(5-7)27-3/h4-5,8,22H,6H2,1-3H3,(H,17,21).
What are the key properties of 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 376.33 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 25252453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).