2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol

C9H11N5O — CID 2218330

IUPAC2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol
SMILESOCCNc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H11N5O/c15-5-3-10-8-6-9(12-7-11-8)14-4-1-2-13-14/h1-2,4,6-7,15H,3,5H2,(H,10,11,12)
InChIKeyIKARSNBTEKSRDZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.07
Rot. Bonds4

About 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol

2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 2218330) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol
PubChem CID2218330
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol
SMILESOCCNc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H11N5O/c15-5-3-10-8-6-9(12-7-11-8)14-4-1-2-13-14/h1-2,4,6-7,15H,3,5H2,(H,10,11,12)
InChIKeyIKARSNBTEKSRDZ-UHFFFAOYSA-N
XLogP0.07
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol (CID 2218330) is 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol is OCCNc1cc(-n2cccn2)ncn1.
What is the InChIKey of 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is IKARSNBTEKSRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c15-5-3-10-8-6-9(12-7-11-8)14-4-1-2-13-14/h1-2,4,6-7,15H,3,5H2,(H,10,11,12).
What are the key properties of 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol?
2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 205.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 2218330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).