3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one

C17H15F3N4O2 — CID 134805614

IUPAC3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(Nc3ccc(C(F)(F)F)cc3)nc2c1=O
InChIInChI=1S/C17H15F3N4O2/c1-26-9-8-24-10-21-13-6-7-14(23-15(13)16(24)25)22-12-4-2-11(3-5-12)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyAYERYGLEYODDOM-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.20
Rot. Bonds5

About 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one

3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805614) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
PubChem CID134805614
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccc(Nc3ccc(C(F)(F)F)cc3)nc2c1=O
InChIInChI=1S/C17H15F3N4O2/c1-26-9-8-24-10-21-13-6-7-14(23-15(13)16(24)25)22-12-4-2-11(3-5-12)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyAYERYGLEYODDOM-UHFFFAOYSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
US11407737, Example 19
CID 162764807
1-benzyl-N-(2-morpholinoethyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 667210
CID 136177302
CID 136177302
3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166626389
3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166628448
2-[(1,3-dimethyl-7-morpholin-4-yl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 164519540
5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923114
5-(2-Methoxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923976
3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66958759
3-methyl-7-[4-(methylamino)phenyl]-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958838
(R)-3-(3-methyl-7-(4-morpholinophenyl)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidin-5-ylamino)pyrrolidine-1-carboxamide
CID 66958856

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one (CID 134805614) is 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one is COCCn1cnc2ccc(Nc3ccc(C(F)(F)F)cc3)nc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is AYERYGLEYODDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-26-9-8-24-10-21-13-6-7-14(23-15(13)16(24)25)22-12-4-2-11(3-5-12)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,22,23).
What are the key properties of 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 364.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-[4-(trifluoromethyl)anilino]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).