1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione

C17H14F3N3O2S — CID 7424472

IUPAC1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)ccnc2n(C)c1=O
InChIInChI=1S/C17H14F3N3O2S/c1-22-14-13(15(24)23(2)16(22)25)12(7-8-21-14)26-9-10-3-5-11(6-4-10)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyABJDWHXABPGPJB-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.94
Rot. Bonds3

About 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 7424472) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID7424472
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)ccnc2n(C)c1=O
InChIInChI=1S/C17H14F3N3O2S/c1-22-14-13(15(24)23(2)16(22)25)12(7-8-21-14)26-9-10-3-5-11(6-4-10)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyABJDWHXABPGPJB-UHFFFAOYSA-N
XLogP2.94
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]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-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 7424472) is 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)ccnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ABJDWHXABPGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-22-14-13(15(24)23(2)16(22)25)12(7-8-21-14)26-9-10-3-5-11(6-4-10)17(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 381.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7424472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).