1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C15H21N5 — CID 79822222

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2-c1cc(C)nc(C)n1
InChIInChI=1S/C15H21N5/c1-4-16-13-6-5-7-14-12(13)9-17-20(14)15-8-10(2)18-11(3)19-15/h8-9,13,16H,4-7H2,1-3H3
InChIKeyBOSORTYIGTUBPB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 79822222) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID79822222
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2-c1cc(C)nc(C)n1
InChIInChI=1S/C15H21N5/c1-4-16-13-6-5-7-14-12(13)9-17-20(14)15-8-10(2)18-11(3)19-15/h8-9,13,16H,4-7H2,1-3H3
InChIKeyBOSORTYIGTUBPB-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 79822222) is 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCNC1CCCc2c1cnn2-c1cc(C)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is BOSORTYIGTUBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-16-13-6-5-7-14-12(13)9-17-20(14)15-8-10(2)18-11(3)19-15/h8-9,13,16H,4-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 79822222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).