2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol

C6H7Cl2N3O — CID 11820356

IUPAC2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol
SMILESOCCNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N3O/c7-4-3-5(9-1-2-12)11-6(8)10-4/h3,12H,1-2H2,(H,9,10,11)
InChIKeyFRHWAHTVIJGJRX-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.19
Rot. Bonds3

About 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol

2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol (PubChem CID 11820356) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol
PubChem CID11820356
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol
SMILESOCCNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N3O/c7-4-3-5(9-1-2-12)11-6(8)10-4/h3,12H,1-2H2,(H,9,10,11)
InChIKeyFRHWAHTVIJGJRX-UHFFFAOYSA-N
XLogP1.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol (CID 11820356) is 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol is OCCNc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol?
The InChIKey is FRHWAHTVIJGJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c7-4-3-5(9-1-2-12)11-6(8)10-4/h3,12H,1-2H2,(H,9,10,11).
What are the key properties of 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol?
2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol has a molecular weight of 208.05 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloropyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 11820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).