N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine

C20H23F3N8O2 — CID 170338277

IUPACN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C20H23F3N8O2/c21-20(22,23)13-10-24-18(25-11-13)28-14-1-3-15(4-2-14)33-19-29-17(30-5-7-32-8-6-30)9-16-26-12-27-31(16)19/h9-12,14-15H,1-8H2,(H,24,25,28)
InChIKeyGCHQAIDIJHSYMM-UHFFFAOYSA-N
MW464.45 g/mol
LogP2.57
Rot. Bonds5

About N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 170338277) has the molecular formula C20H23F3N8O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID170338277
Molecular FormulaC20H23F3N8O2
Molecular Weight464.45 g/mol
Exact Mass464.19
IUPAC NameN-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C20H23F3N8O2/c21-20(22,23)13-10-24-18(25-11-13)28-14-1-3-15(4-2-14)33-19-29-17(30-5-7-32-8-6-30)9-16-26-12-27-31(16)19/h9-12,14-15H,1-8H2,(H,24,25,28)
InChIKeyGCHQAIDIJHSYMM-UHFFFAOYSA-N
XLogP2.57
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 170338277) is N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.
What is the InChIKey of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GCHQAIDIJHSYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O2/c21-20(22,23)13-10-24-18(25-11-13)28-14-1-3-15(4-2-14)33-19-29-17(30-5-7-32-8-6-30)9-16-26-12-27-31(16)19/h9-12,14-15H,1-8H2,(H,24,25,28).
What are the key properties of N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 464.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 170338277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).