(2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C11H15N5O — CID 124563840

IUPAC(2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESC[C@@H]1CN(c2ccnc3ncnn23)C[C@H](C)O1
InChIInChI=1S/C11H15N5O/c1-8-5-15(6-9(2)17-8)10-3-4-12-11-13-7-14-16(10)11/h3-4,7-9H,5-6H2,1-2H3/t8-,9+
InChIKeyDWUIHORIDDSXNV-DTORHVGOSA-N
MW233.28 g/mol
LogP0.74
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

(2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 124563840) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID124563840
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name(2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESC[C@@H]1CN(c2ccnc3ncnn23)C[C@H](C)O1
InChIInChI=1S/C11H15N5O/c1-8-5-15(6-9(2)17-8)10-3-4-12-11-13-7-14-16(10)11/h3-4,7-9H,5-6H2,1-2H3/t8-,9+
InChIKeyDWUIHORIDDSXNV-DTORHVGOSA-N
XLogP0.74
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 124563840) is (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is C[C@@H]1CN(c2ccnc3ncnn23)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is DWUIHORIDDSXNV-DTORHVGOSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-5-15(6-9(2)17-8)10-3-4-12-11-13-7-14-16(10)11/h3-4,7-9H,5-6H2,1-2H3/t8-,9+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 233.28 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 124563840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).