3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one

C18H12F3N7O2 — CID 24860206

IUPAC3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one
SMILESNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1
InChIInChI=1S/C18H12F3N7O2/c19-18(20,21)12-5-4-8(15(22)27-12)10-6-13(25-7-24-10)30-11-3-1-2-9-14(11)28-16(23)17(29)26-9/h1-7H,(H2,22,27)(H2,23,28)(H,26,29)
InChIKeyGVJATBRTOXPQPO-UHFFFAOYSA-N
MW415.34 g/mol
LogP2.75
Rot. Bonds3

About 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one

3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one (PubChem CID 24860206) has the molecular formula C18H12F3N7O2 and a molecular weight of 415.34 g/mol. Its IUPAC name is 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one
PubChem CID24860206
Molecular FormulaC18H12F3N7O2
Molecular Weight415.34 g/mol
Exact Mass415.10
IUPAC Name3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one
SMILESNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1
InChIInChI=1S/C18H12F3N7O2/c19-18(20,21)12-5-4-8(15(22)27-12)10-6-13(25-7-24-10)30-11-3-1-2-9-14(11)28-16(23)17(29)26-9/h1-7H,(H2,22,27)(H2,23,28)(H,26,29)
InChIKeyGVJATBRTOXPQPO-UHFFFAOYSA-N
XLogP2.75
TPSA145.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,2-dihydroquinoxalin-2-one
CID 10453522
3-Amino-5-((2-((2-methoxyethyl)amino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)oxy)quinoxalin-2(1H)-one
CID 24858024
N-{8-[6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yloxy]-quinolin-2-yl}-acetamide
CID 16747961
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoxalin-2-amine
CID 16748213
(R)-3-Amino-5-(2-(1-methoxypropan-2-ylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
CID 11569336
(S)-3-Amino-5-(2-(1-methoxypropan-2-ylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
CID 11605493
3-Amino-5-(6-(2-((1-isobutylpiperidin-2-yl)methylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
CID 24858020
3-Amino-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,2-dihydroquinoxalin-2-one
CID 16748214
3-Amino-5-(6-(2-((R)-tetrahydrofuran-3-ylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
CID 24858169
3-Amino-5-(6-(2-(2-methoxyethylamino)-6-(trifluoromethyl)-pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
CID 24858174
N-(2-(6-(3-Amino-2-oxo-1,2-dihydroquinoxalin-5-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)picolinamide
CID 24860205
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one?
The IUPAC name of 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one (CID 24860206) is 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one is Nc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1.
What is the InChIKey of 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one?
The InChIKey is GVJATBRTOXPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7O2/c19-18(20,21)12-5-4-8(15(22)27-12)10-6-13(25-7-24-10)30-11-3-1-2-9-14(11)28-16(23)17(29)26-9/h1-7H,(H2,22,27)(H2,23,28)(H,26,29).
What are the key properties of 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one?
3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one has a molecular weight of 415.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[6-[2-amino-6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one is sourced from PubChem (CID 24860206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).