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

C13H14ClN3O — CID 57392243

IUPAC2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyFFUORJBKNBKITF-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.51
Rot. Bonds4

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

2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 57392243) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID57392243
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyFFUORJBKNBKITF-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-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 57392243) is 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is FFUORJBKNBKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(4-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-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 57392243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).