2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C8H12ClN3O2 — CID 13340662

IUPAC2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ccnc(Cl)n1
InChIInChI=1S/C8H12ClN3O2/c9-8-10-2-1-7(11-8)12(3-5-13)4-6-14/h1-2,13-14H,3-6H2
InChIKeyGGGBWIRLDYRBKX-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.08
Rot. Bonds5

About 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 13340662) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID13340662
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ccnc(Cl)n1
InChIInChI=1S/C8H12ClN3O2/c9-8-10-2-1-7(11-8)12(3-5-13)4-6-14/h1-2,13-14H,3-6H2
InChIKeyGGGBWIRLDYRBKX-UHFFFAOYSA-N
XLogP-0.08
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 13340662) is 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1ccnc(Cl)n1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GGGBWIRLDYRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c9-8-10-2-1-7(11-8)12(3-5-13)4-6-14/h1-2,13-14H,3-6H2.
What are the key properties of 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 217.66 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 13340662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).