6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one

C11H11F3N4O — CID 178098237

IUPAC6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(C(C)N)nc2c(=O)[nH]1
InChIInChI=1S/C11H11F3N4O/c1-4(15)8-6(11(12,13)14)3-7-9(18-8)10(19)17-5(2)16-7/h3-4H,15H2,1-2H3,(H,16,17,19)
InChIKeyYIBBKBWSQUWTMR-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.67
Rot. Bonds1

About 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one

6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 178098237) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID178098237
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(C(C)N)nc2c(=O)[nH]1
InChIInChI=1S/C11H11F3N4O/c1-4(15)8-6(11(12,13)14)3-7-9(18-8)10(19)17-5(2)16-7/h3-4H,15H2,1-2H3,(H,16,17,19)
InChIKeyYIBBKBWSQUWTMR-UHFFFAOYSA-N
XLogP1.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097284
5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
CID 178097486
6-bromo-2,5-dimethyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097192
6-[1-amino-3-tri(propan-2-yl)silyloxypropyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097390
2-methylpropane;2-methyl-6-[(E)-sulfanyliminomethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097651
6-[(1S)-1-[[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098327
2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178097181
6-(1-aminoethyl)-8-bromo-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097786
2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 149062893
6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 137158008
2-methyl-6-(trifluoromethyl)-1H-benzimidazol-5-amine
CID 162553480
2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 136900820

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one (CID 178098237) is 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one is Cc1nc2cc(C(F)(F)F)c(C(C)N)nc2c(=O)[nH]1.
What is the InChIKey of 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is YIBBKBWSQUWTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-4(15)8-6(11(12,13)14)3-7-9(18-8)10(19)17-5(2)16-7/h3-4H,15H2,1-2H3,(H,16,17,19).
What are the key properties of 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 272.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 178098237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).