2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C13H19N5O — CID 56820118

IUPAC2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CC(C)OC(C)(C)C2)n2ncnc2n1
InChIInChI=1S/C13H19N5O/c1-9-5-11(18-12(16-9)14-8-15-18)17-6-10(2)19-13(3,4)7-17/h5,8,10H,6-7H2,1-4H3
InChIKeyDGZNYCQDJGWKGL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.44
Rot. Bonds1

About 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 56820118) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID56820118
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CC(C)OC(C)(C)C2)n2ncnc2n1
InChIInChI=1S/C13H19N5O/c1-9-5-11(18-12(16-9)14-8-15-18)17-6-10(2)19-13(3,4)7-17/h5,8,10H,6-7H2,1-4H3
InChIKeyDGZNYCQDJGWKGL-UHFFFAOYSA-N
XLogP1.44
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Trapidil
CID 5531
4-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 647029
4-[5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 4906205
4-[6-(3,5-Dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine
CID 321075
Ethanol, 2-(ethyl-(5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)-
CID 3041536
8-(5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 5303752
5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366069
5-methyl-N-(3-morpholinopropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24219696
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56789651
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790905
2,3,5-Trimethyl-7-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 70732500
4-[2-(Chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 53212070

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 56820118) is 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1cc(N2CC(C)OC(C)(C)C2)n2ncnc2n1.
What is the InChIKey of 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is DGZNYCQDJGWKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-5-11(18-12(16-9)14-8-15-18)17-6-10(2)19-13(3,4)7-17/h5,8,10H,6-7H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 261.33 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 56820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).