1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine

C11H16N4O — CID 82707253

IUPAC1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
SMILESCONC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C11H16N4O/c1-7-5-11-12-6-10(8(2)14-16-4)9(3)15(11)13-7/h5-6,8,14H,1-4H3
InChIKeyUCDVXEIYLSSZRQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.56
Rot. Bonds3

About 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine

1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine (PubChem CID 82707253) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
PubChem CID82707253
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
SMILESCONC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C11H16N4O/c1-7-5-11-12-6-10(8(2)14-16-4)9(3)15(11)13-7/h5-6,8,14H,1-4H3
InChIKeyUCDVXEIYLSSZRQ-UHFFFAOYSA-N
XLogP1.56
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712401
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3-methoxypropan-1-amine
CID 43205172
methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
CID 43725802
methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
CID 43322248
(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 78930822
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
CID 115888575
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115888540
1-cyclopropyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
CID 43533202
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
CID 83147407
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine
CID 43534776
(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
CID 103922377
(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
CID 81389560

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine?
The IUPAC name of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine (CID 82707253) is 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine.
What is the SMILES notation for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine?
The canonical SMILES for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine is CONC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine?
The InChIKey is UCDVXEIYLSSZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-5-11-12-6-10(8(2)14-16-4)9(3)15(11)13-7/h5-6,8,14H,1-4H3.
What are the key properties of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine?
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine is sourced from PubChem (CID 82707253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).