2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide

C13H18N6O — CID 120662048

IUPAC2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2ccnc3ccnn23)CCO1
InChIInChI=1S/C13H18N6O/c1-10-9-18(6-7-20-10)13(14)16-8-11-2-4-15-12-3-5-17-19(11)12/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyJRADLZMURVVEMH-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.26
Rot. Bonds2

About 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide

2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide (PubChem CID 120662048) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
PubChem CID120662048
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2ccnc3ccnn23)CCO1
InChIInChI=1S/C13H18N6O/c1-10-9-18(6-7-20-10)13(14)16-8-11-2-4-15-12-3-5-17-19(11)12/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyJRADLZMURVVEMH-UHFFFAOYSA-N
XLogP0.26
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663185
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279
2-methyl-N'-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661129
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide
CID 120661926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide (CID 120662048) is 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide is CC1CN(/C(N)=N/Cc2ccnc3ccnn23)CCO1.
What is the InChIKey of 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide?
The InChIKey is JRADLZMURVVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-9-18(6-7-20-10)13(14)16-8-11-2-4-15-12-3-5-17-19(11)12/h2-5,10H,6-9H2,1H3,(H2,14,16).
What are the key properties of 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide?
2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide has a molecular weight of 274.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 120662048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).