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

C6H8ClN3O — CID 4737628

IUPAC2-[(2-chloropyrimidin-4-yl)amino]ethanol
SMILESOCCNc1ccnc(Cl)n1
InChIInChI=1S/C6H8ClN3O/c7-6-9-2-1-5(10-6)8-3-4-11/h1-2,11H,3-4H2,(H,8,9,10)
InChIKeyBFMJFUXSPYIYBK-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.53
Rot. Bonds3

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

2-[(2-chloropyrimidin-4-yl)amino]ethanol (PubChem CID 4737628) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]ethanol
PubChem CID4737628
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]ethanol
SMILESOCCNc1ccnc(Cl)n1
InChIInChI=1S/C6H8ClN3O/c7-6-9-2-1-5(10-6)8-3-4-11/h1-2,11H,3-4H2,(H,8,9,10)
InChIKeyBFMJFUXSPYIYBK-UHFFFAOYSA-N
XLogP0.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]ethanol (CID 4737628) is 2-[(2-chloropyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]ethanol is OCCNc1ccnc(Cl)n1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]ethanol?
The InChIKey is BFMJFUXSPYIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-6-9-2-1-5(10-6)8-3-4-11/h1-2,11H,3-4H2,(H,8,9,10).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]ethanol?
2-[(2-chloropyrimidin-4-yl)amino]ethanol has a molecular weight of 173.60 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 4737628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).