1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one

C16H23N5O2S — CID 5166984

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
SMILESCc1cc(C)n2nc(SC(C)C(=O)N3CC(C)OC(C)C3)nc2n1
InChIInChI=1S/C16H23N5O2S/c1-9-6-10(2)21-15(17-9)18-16(19-21)24-13(5)14(22)20-7-11(3)23-12(4)8-20/h6,11-13H,7-8H2,1-5H3
InChIKeyFTGOITNVILOWNZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.86
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one (PubChem CID 5166984) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
PubChem CID5166984
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one
SMILESCc1cc(C)n2nc(SC(C)C(=O)N3CC(C)OC(C)C3)nc2n1
InChIInChI=1S/C16H23N5O2S/c1-9-6-10(2)21-15(17-9)18-16(19-21)24-13(5)14(22)20-7-11(3)23-12(4)8-20/h6,11-13H,7-8H2,1-5H3
InChIKeyFTGOITNVILOWNZ-UHFFFAOYSA-N
XLogP1.86
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one (CID 5166984) is 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one is Cc1cc(C)n2nc(SC(C)C(=O)N3CC(C)OC(C)C3)nc2n1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one?
The InChIKey is FTGOITNVILOWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-9-6-10(2)21-15(17-9)18-16(19-21)24-13(5)14(22)20-7-11(3)23-12(4)8-20/h6,11-13H,7-8H2,1-5H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one has a molecular weight of 349.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 5166984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).