5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H17ClN4O2 — CID 16845183

IUPAC5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1Nc1cccc(Cl)c1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H17ClN4O2/c1-9-8-19-15-13(16(23)22(4)17(24)21(15)3)14(9)20-12-7-5-6-11(18)10(12)2/h5-8H,1-4H3,(H,19,20)
InChIKeyXIUHPCUDZWGKKV-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.65
Rot. Bonds2

About 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845183) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845183
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1Nc1cccc(Cl)c1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H17ClN4O2/c1-9-8-19-15-13(16(23)22(4)17(24)21(15)3)14(9)20-12-7-5-6-11(18)10(12)2/h5-8H,1-4H3,(H,19,20)
InChIKeyXIUHPCUDZWGKKV-UHFFFAOYSA-N
XLogP2.65
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[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

1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845153
4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 16845222
5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845354
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18585335
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845120
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
3,5-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840715
7-[2-(3-chloro-2-methylanilino)ethyl]-1,3-dimethylpurine-2,6-dione
CID 17395771
3,3-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840692
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
5-bromo-6-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764119

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845183) is 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cnc2c(c1Nc1cccc(Cl)c1C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XIUHPCUDZWGKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-9-8-19-15-13(16(23)22(4)17(24)21(15)3)14(9)20-12-7-5-6-11(18)10(12)2/h5-8H,1-4H3,(H,19,20).
What are the key properties of 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 344.80 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).