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

C16H19N5 — CID 43201499

IUPAC1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1cc2ncc(C(C)NCc3ccccn3)c(C)n2n1
InChIInChI=1S/C16H19N5/c1-11-8-16-19-10-15(13(3)21(16)20-11)12(2)18-9-14-6-4-5-7-17-14/h4-8,10,12,18H,9H2,1-3H3
InChIKeyUCBJVOAPENLMBP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.59
Rot. Bonds4

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

1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 43201499) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID43201499
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1cc2ncc(C(C)NCc3ccccn3)c(C)n2n1
InChIInChI=1S/C16H19N5/c1-11-8-16-19-10-15(13(3)21(16)20-11)12(2)18-9-14-6-4-5-7-17-14/h4-8,10,12,18H,9H2,1-3H3
InChIKeyUCBJVOAPENLMBP-UHFFFAOYSA-N
XLogP2.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 43201499) is 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine is Cc1cc2ncc(C(C)NCc3ccccn3)c(C)n2n1.
What is the InChIKey of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is UCBJVOAPENLMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-8-16-19-10-15(13(3)21(16)20-11)12(2)18-9-14-6-4-5-7-17-14/h4-8,10,12,18H,9H2,1-3H3.
What are the key properties of 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine?
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.59, 4 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-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 43201499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).