2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol

C14H16BrN3O — CID 57402736

IUPAC2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol
SMILESCCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3O/c1-2-12-9-13(16-7-8-19)18-14(17-12)10-3-5-11(15)6-4-10/h3-6,9,19H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyAUHWOXORHMSFJY-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.87
Rot. Bonds5

About 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol

2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol (PubChem CID 57402736) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol
PubChem CID57402736
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol
SMILESCCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3O/c1-2-12-9-13(16-7-8-19)18-14(17-12)10-3-5-11(15)6-4-10/h3-6,9,19H,2,7-8H2,1H3,(H,16,17,18)
InChIKeyAUHWOXORHMSFJY-UHFFFAOYSA-N
XLogP2.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol (CID 57402736) is 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol is CCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol?
The InChIKey is AUHWOXORHMSFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-12-9-13(16-7-8-19)18-14(17-12)10-3-5-11(15)6-4-10/h3-6,9,19H,2,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol?
2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol has a molecular weight of 322.21 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 57402736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).