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

C23H33N9O3 — CID 170338292

IUPAC5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCN(C)CCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C23H33N9O3/c1-30(2)7-12-34-19-14-24-22(25-15-19)28-17-3-5-18(6-4-17)35-23-29-21(31-8-10-33-11-9-31)13-20-26-16-27-32(20)23/h13-18H,3-12H2,1-2H3,(H,24,25,28)
InChIKeyICOIQJOZNOZYGB-UHFFFAOYSA-N
MW483.58 g/mol
LogP1.49
Rot. Bonds9

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

5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 170338292) has the molecular formula C23H33N9O3 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-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-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
PubChem CID170338292
Molecular FormulaC23H33N9O3
Molecular Weight483.58 g/mol
Exact Mass483.27
IUPAC Name5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
SMILESCN(C)CCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
InChIInChI=1S/C23H33N9O3/c1-30(2)7-12-34-19-14-24-22(25-15-19)28-17-3-5-18(6-4-17)35-23-29-21(31-8-10-33-11-9-31)13-20-26-16-27-32(20)23/h13-18H,3-12H2,1-2H3,(H,24,25,28)
InChIKeyICOIQJOZNOZYGB-UHFFFAOYSA-N
XLogP1.49
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-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-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 170338292) is 5-[2-(dimethylamino)ethoxy]-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-[2-(dimethylamino)ethoxy]-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-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is CN(C)CCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
The InChIKey is ICOIQJOZNOZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N9O3/c1-30(2)7-12-34-19-14-24-22(25-15-19)28-17-3-5-18(6-4-17)35-23-29-21(31-8-10-33-11-9-31)13-20-26-16-27-32(20)23/h13-18H,3-12H2,1-2H3,(H,24,25,28).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-N-[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine?
5-[2-(dimethylamino)ethoxy]-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 483.58 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-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 170338292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).