2-[(5-phenylpyrimidin-2-yl)amino]ethanol

C12H13N3O — CID 5157683

IUPAC2-[(5-phenylpyrimidin-2-yl)amino]ethanol
SMILESOCCNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H13N3O/c16-7-6-13-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,13,14,15)
InChIKeyCKAGPXAQHGUWAI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.55
Rot. Bonds4

About 2-[(5-phenylpyrimidin-2-yl)amino]ethanol

2-[(5-phenylpyrimidin-2-yl)amino]ethanol (PubChem CID 5157683) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[(5-phenylpyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-phenylpyrimidin-2-yl)amino]ethanol
PubChem CID5157683
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[(5-phenylpyrimidin-2-yl)amino]ethanol
SMILESOCCNc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C12H13N3O/c16-7-6-13-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,13,14,15)
InChIKeyCKAGPXAQHGUWAI-UHFFFAOYSA-N
XLogP1.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylpyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[(5-phenylpyrimidin-2-yl)amino]ethanol (CID 5157683) is 2-[(5-phenylpyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-phenylpyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(5-phenylpyrimidin-2-yl)amino]ethanol is OCCNc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 2-[(5-phenylpyrimidin-2-yl)amino]ethanol?
The InChIKey is CKAGPXAQHGUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-7-6-13-12-14-8-11(9-15-12)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,13,14,15).
What are the key properties of 2-[(5-phenylpyrimidin-2-yl)amino]ethanol?
2-[(5-phenylpyrimidin-2-yl)amino]ethanol has a molecular weight of 215.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylpyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 5157683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).