2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol

C13H14ClN3O — CID 86217524

IUPAC2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-7-12(15-5-6-18)17-13(16-9)10-3-2-4-11(14)8-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,16,17)
InChIKeyZHKSTIHWJRTQIO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.51
Rot. Bonds4

About 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol

2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 86217524) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID86217524
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-7-12(15-5-6-18)17-13(16-9)10-3-2-4-11(14)8-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,16,17)
InChIKeyZHKSTIHWJRTQIO-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 86217524) is 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is ZHKSTIHWJRTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-7-12(15-5-6-18)17-13(16-9)10-3-2-4-11(14)8-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 263.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 86217524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).