2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol

C9H14ClN3O — CID 62481923

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1cc(Cl)nc(C)n1
InChIInChI=1S/C9H14ClN3O/c1-3-13(4-5-14)9-6-8(10)11-7(2)12-9/h6,14H,3-5H2,1-2H3
InChIKeyFFMIULZHFSCUKR-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.26
Rot. Bonds4

About 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol

2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 62481923) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
PubChem CID62481923
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1cc(Cl)nc(C)n1
InChIInChI=1S/C9H14ClN3O/c1-3-13(4-5-14)9-6-8(10)11-7(2)12-9/h6,14H,3-5H2,1-2H3
InChIKeyFFMIULZHFSCUKR-UHFFFAOYSA-N
XLogP1.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol (CID 62481923) is 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1cc(Cl)nc(C)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is FFMIULZHFSCUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-13(4-5-14)9-6-8(10)11-7(2)12-9/h6,14H,3-5H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol?
2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 215.68 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 62481923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).