N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine

C23H25F3N6O2 — CID 121335789

IUPACN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
SMILESFC(F)(F)c1ncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1
InChIInChI=1S/C23H25F3N6O2/c24-23(25,26)22-29-13-16(14-30-22)31-15-1-3-18(4-2-15)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19/h5-6,11-15,18,31H,1-4,7-10H2
InChIKeyZZNPUSSRYXBUCH-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.08
Rot. Bonds5

About N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine

N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 121335789) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID121335789
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
SMILESFC(F)(F)c1ncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1
InChIInChI=1S/C23H25F3N6O2/c24-23(25,26)22-29-13-16(14-30-22)31-15-1-3-18(4-2-15)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19/h5-6,11-15,18,31H,1-4,7-10H2
InChIKeyZZNPUSSRYXBUCH-UHFFFAOYSA-N
XLogP4.08
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-6-(trifluoromethyl)pyridin-3-amine
CID 121335931
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335808
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157339164
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine (CID 121335789) is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine is FC(F)(F)c1ncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.
What is the InChIKey of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is ZZNPUSSRYXBUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c24-23(25,26)22-29-13-16(14-30-22)31-15-1-3-18(4-2-15)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19/h5-6,11-15,18,31H,1-4,7-10H2.
What are the key properties of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 474.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 121335789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).