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

C23H25F3N6O2 — CID 121335791

IUPACN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C23H25F3N6O2/c24-23(25,26)15-13-29-22(30-14-15)31-16-1-3-18(4-2-16)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19/h5-6,11-14,16,18H,1-4,7-10H2,(H,29,30,31)
InChIKeyVVMAOZWSTGRHAS-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.08
Rot. Bonds5

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

N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 121335791) 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]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID121335791
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C23H25F3N6O2/c24-23(25,26)15-13-29-22(30-14-15)31-16-1-3-18(4-2-16)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19/h5-6,11-14,16,18H,1-4,7-10H2,(H,29,30,31)
InChIKeyVVMAOZWSTGRHAS-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 121335791) is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VVMAOZWSTGRHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c24-23(25,26)15-13-29-22(30-14-15)31-16-1-3-18(4-2-16)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19/h5-6,11-14,16,18H,1-4,7-10H2,(H,29,30,31).
What are the key properties of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyrimidin-2-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]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 121335791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).