1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione

C17H15F3N4O4 — CID 163362283

IUPAC1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(Nc3ccc(OC(F)(F)F)cc3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C17H15F3N4O4/c1-22-12(25)8-11(13-14(22)23(2)16(27)24(3)15(13)26)21-9-4-6-10(7-5-9)28-17(18,19)20/h4-8,21H,1-3H3
InChIKeyWDLCDTVSLHIWRH-UHFFFAOYSA-N
MW396.33 g/mol
LogP1.58
Rot. Bonds3

About 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163362283) has the molecular formula C17H15F3N4O4 and a molecular weight of 396.33 g/mol. Its IUPAC name is 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163362283
Molecular FormulaC17H15F3N4O4
Molecular Weight396.33 g/mol
Exact Mass396.10
IUPAC Name1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(Nc3ccc(OC(F)(F)F)cc3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C17H15F3N4O4/c1-22-12(25)8-11(13-14(22)23(2)16(27)24(3)15(13)26)21-9-4-6-10(7-5-9)28-17(18,19)20/h4-8,21H,1-3H3
InChIKeyWDLCDTVSLHIWRH-UHFFFAOYSA-N
XLogP1.58
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163362283) is 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(Nc3ccc(OC(F)(F)F)cc3)cc(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is WDLCDTVSLHIWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4/c1-22-12(25)8-11(13-14(22)23(2)16(27)24(3)15(13)26)21-9-4-6-10(7-5-9)28-17(18,19)20/h4-8,21H,1-3H3.
What are the key properties of 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 396.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-5-[4-(trifluoromethoxy)anilino]pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163362283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).