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

C13H14BrN3O — CID 5332859

IUPAC2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/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)
InChIKeyDUKPGOOUJNUIOI-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.62
Rot. Bonds4

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

2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 5332859) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID5332859
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/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)
InChIKeyDUKPGOOUJNUIOI-UHFFFAOYSA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 5332859) is 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is DUKPGOOUJNUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/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-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 308.18 g/mol, XLogP of 2.62, 4 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-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 5332859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).