1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione

C33H26N5O5P — CID 2777930

IUPAC1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c([N+](=O)[O-])c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C33H26N5O5P/c1-35-30-27(31(39)36(2)33(35)41)28(29(38(42)43)32(40)37(30)23-15-7-3-8-16-23)34-44(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyCVSLGQCFLKCMBR-UHFFFAOYSA-N
MW603.58 g/mol
LogP4.11
Rot. Bonds6

About 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 2777930) has the molecular formula C33H26N5O5P and a molecular weight of 603.58 g/mol. Its IUPAC name is 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID2777930
Molecular FormulaC33H26N5O5P
Molecular Weight603.58 g/mol
Exact Mass603.17
IUPAC Name1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c([N+](=O)[O-])c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C33H26N5O5P/c1-35-30-27(31(39)36(2)33(35)41)28(29(38(42)43)32(40)37(30)23-15-7-3-8-16-23)34-44(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
InChIKeyCVSLGQCFLKCMBR-UHFFFAOYSA-N
XLogP4.11
TPSA121.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione 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

6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454264
4,6,14-trimethyl-8-phenyl-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
CID 2785878
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687
(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane
CID 2775494
3-amino-3-(5-chloro-1,3-dimethyl-2,4,7-trioxo-8-phenylpyrido[2,3-d]pyrimidin-6-yl)propanoic acid
CID 170872709
6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
CID 54705844
1,3-dimethyl-5-morpholin-4-yl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2786001
7-amino-3-methyl-1-phenyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 14616443
1,3-dimethyl-5-(3-methylphenyl)-6-(3-nitrophenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1422375
6-ethyl-5-nitro-1-phenylpyrimidine-2,4-dione
CID 141029191
4-[benzyl(methyl)amino]-3-nitro-1-phenylquinolin-2-one
CID 23473405
(1,2-dimethylindol-3-yl)-(4-nitrophenyl)imino-diphenyl-λ5-phosphane
CID 4224465

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 2777930) is 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c([N+](=O)[O-])c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CVSLGQCFLKCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N5O5P/c1-35-30-27(31(39)36(2)33(35)41)28(29(38(42)43)32(40)37(30)23-15-7-3-8-16-23)34-44(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3.
What are the key properties of 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 603.58 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 2777930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).