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

C18H19N3O2S — CID 7424300

IUPAC1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2S/c1-11-5-7-13(8-6-11)10-24-15-12(2)9-19-16-14(15)17(22)21(4)18(23)20(16)3/h5-9H,10H2,1-4H3
InChIKeyZGZCDZNGKAMFQQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.54
Rot. Bonds3

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

1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 7424300) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID7424300
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2S/c1-11-5-7-13(8-6-11)10-24-15-12(2)9-19-16-14(15)17(22)21(4)18(23)20(16)3/h5-9H,10H2,1-4H3
InChIKeyZGZCDZNGKAMFQQ-UHFFFAOYSA-N
XLogP2.54
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]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-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 7424300) is 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZGZCDZNGKAMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-5-7-13(8-6-11)10-24-15-12(2)9-19-16-14(15)17(22)21(4)18(23)20(16)3/h5-9H,10H2,1-4H3.
What are the key properties of 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 341.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-[(4-methylphenyl)methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7424300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).