5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione

C10H10Cl2N3O2+ — CID 2785884

IUPAC5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCn1c(=O)c2c(Cl)cc(Cl)[n+](C)c2n(C)c1=O
InChIInChI=1S/C10H10Cl2N3O2/c1-13-6(12)4-5(11)7-8(13)14(2)10(17)15(3)9(7)16/h4H,1-3H3/q+1
InChIKeyBGEPVMVTYZGAPM-UHFFFAOYSA-N
MW275.12 g/mol
LogP0.37
Rot. Bonds

About 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione

5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione (PubChem CID 2785884) has the molecular formula C10H10Cl2N3O2+ and a molecular weight of 275.12 g/mol. Its IUPAC name is 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
PubChem CID2785884
Molecular FormulaC10H10Cl2N3O2+
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCn1c(=O)c2c(Cl)cc(Cl)[n+](C)c2n(C)c1=O
InChIInChI=1S/C10H10Cl2N3O2/c1-13-6(12)4-5(11)7-8(13)14(2)10(17)15(3)9(7)16/h4H,1-3H3/q+1
InChIKeyBGEPVMVTYZGAPM-UHFFFAOYSA-N
XLogP0.37
TPSA47.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-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

7-amino-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10538050
5-bromo-6-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764119
5-chloro-1,3-dimethyl-7-(trifluoromethyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 177214383
2,7-dichloro-3,5-dimethylquinazolin-4-one
CID 114693280
5-(2,6-dichlorophenyl)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidin-8-ium-2,4,7-trione
CID 74925743
N-[(2-chlorophenyl)methyl]-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424315
5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845183
6-bromo-5-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 15141673
3-(3,4-dichlorophenyl)-6,8-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
CID 6413661
3,5-dichloro-1-methylpyridin-2-one
CID 18793483
1,3,9-trimethyl-7-phenyl-8H-purin-7-ium-8-ide-2,6-dione
CID 139166134
1,3,5,6-tetramethylbenzimidazol-2-one
CID 23560568

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The IUPAC name of 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione (CID 2785884) is 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione.
What is the SMILES notation for 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The canonical SMILES for 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione is Cn1c(=O)c2c(Cl)cc(Cl)[n+](C)c2n(C)c1=O.
What is the InChIKey of 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The InChIKey is BGEPVMVTYZGAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N3O2/c1-13-6(12)4-5(11)7-8(13)14(2)10(17)15(3)9(7)16/h4H,1-3H3/q+1.
What are the key properties of 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione has a molecular weight of 275.12 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,3,8-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione is sourced from PubChem (CID 2785884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).