2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C15H21N5O — CID 51086871

IUPAC2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCc1cc(NC2CCCc3c2cnn3CCO)nc(C)n1
InChIInChI=1S/C15H21N5O/c1-10-8-15(18-11(2)17-10)19-13-4-3-5-14-12(13)9-16-20(14)6-7-21/h8-9,13,21H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyODFBHRUILLYQQE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 51086871) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID51086871
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCc1cc(NC2CCCc3c2cnn3CCO)nc(C)n1
InChIInChI=1S/C15H21N5O/c1-10-8-15(18-11(2)17-10)19-13-4-3-5-14-12(13)9-16-20(14)6-7-21/h8-9,13,21H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyODFBHRUILLYQQE-UHFFFAOYSA-N
XLogP1.77
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 51086871) is 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is Cc1cc(NC2CCCc3c2cnn3CCO)nc(C)n1.
What is the InChIKey of 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is ODFBHRUILLYQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-8-15(18-11(2)17-10)19-13-4-3-5-14-12(13)9-16-20(14)6-7-21/h8-9,13,21H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylpyrimidin-4-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 51086871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).