N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine

C24H20F3N5O2 — CID 123757948

IUPACN-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine
SMILESCC(CNc1cc(-c2cc(C(F)(F)F)c3ncccc3c2)ncn1)c1ccnc2c1OCCO2
InChIInChI=1S/C24H20F3N5O2/c1-14(17-4-6-29-23-22(17)33-7-8-34-23)12-30-20-11-19(31-13-32-20)16-9-15-3-2-5-28-21(15)18(10-16)24(25,26)27/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,30,31,32)
InChIKeyUNUYQWQZAPJXLU-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.09
Rot. Bonds5

About N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine

N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine (PubChem CID 123757948) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine
PubChem CID123757948
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine
SMILESCC(CNc1cc(-c2cc(C(F)(F)F)c3ncccc3c2)ncn1)c1ccnc2c1OCCO2
InChIInChI=1S/C24H20F3N5O2/c1-14(17-4-6-29-23-22(17)33-7-8-34-23)12-30-20-11-19(31-13-32-20)16-9-15-3-2-5-28-21(15)18(10-16)24(25,26)27/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,30,31,32)
InChIKeyUNUYQWQZAPJXLU-UHFFFAOYSA-N
XLogP5.09
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2S)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-(5-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 118982598
N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylsulfanylbutyl]-6-quinolin-7-ylpyrimidin-4-amine
CID 123873688
6-(5-amino-6-fluoro-3-pyridinyl)-N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)butyl]pyrimidin-4-amine
CID 123549858
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 162215068
N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
CID 162158891
N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylsulfanylbutyl]-6-isoquinolin-7-ylpyrimidin-4-amine
CID 123711416
N'-[5-[6-[[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 155439991
2-[5-[6-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propylamino]pyrimidin-4-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanol
CID 118982561
N-[(2S)-2-(3,3-dimethyl-2H-furo[3,2-b]pyridin-7-yl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine;sulfane
CID 158017312
N-[(2S)-2-[(3S)-3-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl]propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 118982627
N-[(2S)-2-(2,3-dihydro-1-benzofuran-7-yl)propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 159776657
N-[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]-6-[6-methoxy-5-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrimidin-4-amine
CID 155440163

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine (CID 123757948) is N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine is CC(CNc1cc(-c2cc(C(F)(F)F)c3ncccc3c2)ncn1)c1ccnc2c1OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine?
The InChIKey is UNUYQWQZAPJXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14(17-4-6-29-23-22(17)33-7-8-34-23)12-30-20-11-19(31-13-32-20)16-9-15-3-2-5-28-21(15)18(10-16)24(25,26)27/h2-6,9-11,13-14H,7-8,12H2,1H3,(H,30,31,32).
What are the key properties of N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine?
N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine has a molecular weight of 467.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)propyl]-6-[8-(trifluoromethyl)quinolin-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 123757948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).