5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H20N6 — CID 70784263

IUPAC5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCc2cnccn2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H20N6/c1-4-13-9-15(19-6-5-14-10-17-7-8-18-14)22-16(20-13)11(2)12(3)21-22/h7-10,19H,4-6H2,1-3H3
InChIKeyNHHWOHBVRPURLA-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.35
Rot. Bonds5

About 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70784263) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70784263
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCc2cnccn2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H20N6/c1-4-13-9-15(19-6-5-14-10-17-7-8-18-14)22-16(20-13)11(2)12(3)21-22/h7-10,19H,4-6H2,1-3H3
InChIKeyNHHWOHBVRPURLA-UHFFFAOYSA-N
XLogP2.35
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70784263) is 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCc2cnccn2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NHHWOHBVRPURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-13-9-15(19-6-5-14-10-17-7-8-18-14)22-16(20-13)11(2)12(3)21-22/h7-10,19H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 296.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70784263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).