(5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione

C19H13N3O5 — CID 7039250

IUPAC(5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)C=C(c1ccccc1)O2
InChIInChI=1S/C19H13N3O5/c23-17-16-14(12-7-4-8-13(9-12)22(25)26)10-15(11-5-2-1-3-6-11)27-18(16)21-19(24)20-17/h1-10,14H,(H2,20,21,23,24)/t14-/m0/s1
InChIKeyZNNDXCMITIUCOL-AWEZNQCLSA-N
MW363.33 g/mol
LogP2.54
Rot. Bonds3

About (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione

(5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione (PubChem CID 7039250) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione
PubChem CID7039250
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name(5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)C=C(c1ccccc1)O2
InChIInChI=1S/C19H13N3O5/c23-17-16-14(12-7-4-8-13(9-12)22(25)26)10-15(11-5-2-1-3-6-11)27-18(16)21-19(24)20-17/h1-10,14H,(H2,20,21,23,24)/t14-/m0/s1
InChIKeyZNNDXCMITIUCOL-AWEZNQCLSA-N
XLogP2.54
TPSA118.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
5-(3-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 21237263
(8R)-6-amino-8-(3-nitrophenyl)-2,4-dioxo-1,8-dihydropyrano[3,2-d]pyrimidine-7-carbonitrile
CID 7012371
4-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4068850
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran
CID 135015738
(3E)-3-[(3-nitrophenyl)methylidene]-5-phenylfuran-2-one
CID 2253200
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
(5S,5aR)-8,8-dimethyl-5-(3-nitrophenyl)-5,5a,7,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 2196562
propan-2-yl 7-methyl-5-(3-nitrophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 4017098
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)oxolane-2,3-dione
CID 7113811
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione (CID 7039250) is (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)C=C(c1ccccc1)O2.
What is the InChIKey of (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZNNDXCMITIUCOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H13N3O5/c23-17-16-14(12-7-4-8-13(9-12)22(25)26)10-15(11-5-2-1-3-6-11)27-18(16)21-19(24)20-17/h1-10,14H,(H2,20,21,23,24)/t14-/m0/s1.
What are the key properties of (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione?
(5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione has a molecular weight of 363.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-nitrophenyl)-7-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7039250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).