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

C19H23BrN8O2 — CID 170338281

IUPAC5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESBrc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C19H23BrN8O2/c20-13-10-21-18(22-11-13)25-14-1-3-15(4-2-14)30-19-26-17(27-5-7-29-8-6-27)9-16-23-12-24-28(16)19/h9-12,14-15H,1-8H2,(H,21,22,25)
InChIKeyAPGOWRCDDQYIDF-UHFFFAOYSA-N
MW475.35 g/mol
LogP2.32
Rot. Bonds5

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

5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170338281) has the molecular formula C19H23BrN8O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
PubChem CID170338281
Molecular FormulaC19H23BrN8O2
Molecular Weight475.35 g/mol
Exact Mass474.11
IUPAC Name5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESBrc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C19H23BrN8O2/c20-13-10-21-18(22-11-13)25-14-1-3-15(4-2-14)30-19-26-17(27-5-7-29-8-6-27)9-16-23-12-24-28(16)19/h9-12,14-15H,1-8H2,(H,21,22,25)
InChIKeyAPGOWRCDDQYIDF-UHFFFAOYSA-N
XLogP2.32
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]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 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170338281) is 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is Brc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.
What is the InChIKey of 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The InChIKey is APGOWRCDDQYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN8O2/c20-13-10-21-18(22-11-13)25-14-1-3-15(4-2-14)30-19-26-17(27-5-7-29-8-6-27)9-16-23-12-24-28(16)19/h9-12,14-15H,1-8H2,(H,21,22,25).
What are the key properties of 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine has a molecular weight of 475.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 170338281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).