2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol

C10H17N3O2 — CID 75436307

IUPAC2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
SMILESCc1cnc(NCCOCCO)nc1C
InChIInChI=1S/C10H17N3O2/c1-8-7-12-10(13-9(8)2)11-3-5-15-6-4-14/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyGRKMSEGHVHAZDD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.51
Rot. Bonds6

About 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol

2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol (PubChem CID 75436307) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
PubChem CID75436307
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
SMILESCc1cnc(NCCOCCO)nc1C
InChIInChI=1S/C10H17N3O2/c1-8-7-12-10(13-9(8)2)11-3-5-15-6-4-14/h7,14H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyGRKMSEGHVHAZDD-UHFFFAOYSA-N
XLogP0.51
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol (CID 75436307) is 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol is Cc1cnc(NCCOCCO)nc1C.
What is the InChIKey of 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol?
The InChIKey is GRKMSEGHVHAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-7-12-10(13-9(8)2)11-3-5-15-6-4-14/h7,14H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol?
2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 75436307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).