1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione

C17H18N4O2S — CID 16845153

IUPAC1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCSc1ccccc1Nc1c(C)cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18N4O2S/c1-10-9-18-15-13(16(22)21(3)17(23)20(15)2)14(10)19-11-7-5-6-8-12(11)24-4/h5-9H,1-4H3,(H,18,19)
InChIKeyMQINHOUPKZKOAO-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.41
Rot. Bonds3

About 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione

1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845153) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845153
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCSc1ccccc1Nc1c(C)cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18N4O2S/c1-10-9-18-15-13(16(22)21(3)17(23)20(15)2)14(10)19-11-7-5-6-8-12(11)24-4/h5-9H,1-4H3,(H,18,19)
InChIKeyMQINHOUPKZKOAO-UHFFFAOYSA-N
XLogP2.41
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[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

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845153) is 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione is CSc1ccccc1Nc1c(C)cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MQINHOUPKZKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-9-18-15-13(16(22)21(3)17(23)20(15)2)14(10)19-11-7-5-6-8-12(11)24-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).