2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol

C10H16ClN3O2 — CID 82460601

IUPAC2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol
SMILESCc1nc(Cl)nc(NCCOCCO)c1C
InChIInChI=1S/C10H16ClN3O2/c1-7-8(2)13-10(11)14-9(7)12-3-5-16-6-4-15/h15H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQLIZZKWHEROGLZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol

2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol (PubChem CID 82460601) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol
PubChem CID82460601
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol
SMILESCc1nc(Cl)nc(NCCOCCO)c1C
InChIInChI=1S/C10H16ClN3O2/c1-7-8(2)13-10(11)14-9(7)12-3-5-16-6-4-15/h15H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyQLIZZKWHEROGLZ-UHFFFAOYSA-N
XLogP1.17
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.17
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-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol (CID 82460601) is 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol is Cc1nc(Cl)nc(NCCOCCO)c1C.
What is the InChIKey of 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol?
The InChIKey is QLIZZKWHEROGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7-8(2)13-10(11)14-9(7)12-3-5-16-6-4-15/h15H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol?
2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol has a molecular weight of 245.71 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-5,6-dimethylpyrimidin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 82460601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).