2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol

C13H15N3O2 — CID 11658810

IUPAC2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-16(7-8-17)12-9-13(15-10-14-12)18-11-5-3-2-4-6-11/h2-6,9-10,17H,7-8H2,1H3
InChIKeyXKVGRUXQEVMJLZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds5

About 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol

2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol (PubChem CID 11658810) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol
PubChem CID11658810
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C13H15N3O2/c1-16(7-8-17)12-9-13(15-10-14-12)18-11-5-3-2-4-6-11/h2-6,9-10,17H,7-8H2,1H3
InChIKeyXKVGRUXQEVMJLZ-UHFFFAOYSA-N
XLogP1.70
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(6-phenoxypyrimidin-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-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol (CID 11658810) is 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol is CN(CCO)c1cc(Oc2ccccc2)ncn1.
What is the InChIKey of 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol?
The InChIKey is XKVGRUXQEVMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(7-8-17)12-9-13(15-10-14-12)18-11-5-3-2-4-6-11/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol?
2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol has a molecular weight of 245.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 11658810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).