5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H21N7O — CID 133385314

IUPAC5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc(N2CCOCC2)ccc1Nc1c(C)c(C)nc2ncnn12
InChIInChI=1S/C17H21N7O/c1-11-12(2)21-17-18-10-19-24(17)16(11)22-14-4-5-15(20-13(14)3)23-6-8-25-9-7-23/h4-5,10,22H,6-9H2,1-3H3
InChIKeyZHHIYLLLMKLEEZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.02
Rot. Bonds3

About 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133385314) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133385314
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc(N2CCOCC2)ccc1Nc1c(C)c(C)nc2ncnn12
InChIInChI=1S/C17H21N7O/c1-11-12(2)21-17-18-10-19-24(17)16(11)22-14-4-5-15(20-13(14)3)23-6-8-25-9-7-23/h4-5,10,22H,6-9H2,1-3H3
InChIKeyZHHIYLLLMKLEEZ-UHFFFAOYSA-N
XLogP2.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133385314) is 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc(N2CCOCC2)ccc1Nc1c(C)c(C)nc2ncnn12.
What is the InChIKey of 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZHHIYLLLMKLEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-12(2)21-17-18-10-19-24(17)16(11)22-14-4-5-15(20-13(14)3)23-6-8-25-9-7-23/h4-5,10,22H,6-9H2,1-3H3.
What are the key properties of 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133385314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).