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

C17H14F3N3O3 — CID 18567268

IUPAC5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccnc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C
InChIInChI=1S/C17H14F3N3O3/c1-22-14-13(12(26-2)6-7-21-14)15(24)23(16(22)25)9-10-4-3-5-11(8-10)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyDJZJIDKKQPVTPM-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.17
Rot. Bonds3

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

5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 18567268) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID18567268
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccnc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C
InChIInChI=1S/C17H14F3N3O3/c1-22-14-13(12(26-2)6-7-21-14)15(24)23(16(22)25)9-10-4-3-5-11(8-10)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeyDJZJIDKKQPVTPM-UHFFFAOYSA-N
XLogP2.17
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]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 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 18567268) is 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccnc2c1c(=O)n(Cc1cccc(C(F)(F)F)c1)c(=O)n2C.
What is the InChIKey of 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DJZJIDKKQPVTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-22-14-13(12(26-2)6-7-21-14)15(24)23(16(22)25)9-10-4-3-5-11(8-10)17(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 365.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18567268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).