2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C8H11Cl2N3O2 — CID 79631967

IUPAC2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(Cl)ncc1Cl
InChIInChI=1S/C8H11Cl2N3O2/c9-6-5-11-8(10)12-7(6)13(1-3-14)2-4-15/h5,14-15H,1-4H2
InChIKeyPONBXNQNNNHDOC-UHFFFAOYSA-N
MW252.10 g/mol
LogP0.57
Rot. Bonds5

About 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 79631967) has the molecular formula C8H11Cl2N3O2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID79631967
Molecular FormulaC8H11Cl2N3O2
Molecular Weight252.10 g/mol
Exact Mass251.02
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(Cl)ncc1Cl
InChIInChI=1S/C8H11Cl2N3O2/c9-6-5-11-8(10)12-7(6)13(1-3-14)2-4-15/h5,14-15H,1-4H2
InChIKeyPONBXNQNNNHDOC-UHFFFAOYSA-N
XLogP0.57
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 79631967) is 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is PONBXNQNNNHDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O2/c9-6-5-11-8(10)12-7(6)13(1-3-14)2-4-15/h5,14-15H,1-4H2.
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 252.10 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 79631967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).