5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H16N6 — CID 70709083

IUPAC5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)Cc2ccncn2)n2nccc2n1
InChIInChI=1S/C14H16N6/c1-3-11-8-14(20-13(18-11)5-7-17-20)19(2)9-12-4-6-15-10-16-12/h4-8,10H,3,9H2,1-2H3
InChIKeyYIXVRUGPXSRNAI-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.72
Rot. Bonds4

About 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70709083) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70709083
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)Cc2ccncn2)n2nccc2n1
InChIInChI=1S/C14H16N6/c1-3-11-8-14(20-13(18-11)5-7-17-20)19(2)9-12-4-6-15-10-16-12/h4-8,10H,3,9H2,1-2H3
InChIKeyYIXVRUGPXSRNAI-UHFFFAOYSA-N
XLogP1.72
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
US10399985, Example 23
CID 118278081
US10399985, Example 29
CID 118278224
1-{5-Methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}-4-phenylpiperazine
CID 1088125
2-Methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1472842
3-Chloro-2-methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1489155
3-Methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70709083) is 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N(C)Cc2ccncn2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YIXVRUGPXSRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-11-8-14(20-13(18-11)5-7-17-20)19(2)9-12-4-6-15-10-16-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 268.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70709083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).