2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol

C15H19N3O — CID 75485076

IUPAC2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-2-18(10-11-19)15-8-9-16-14(17-15)12-13-6-4-3-5-7-13/h3-9,19H,2,10-12H2,1H3
InChIKeyUUWCEKQMXMXIIB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.89
Rot. Bonds6

About 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol

2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 75485076) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol
PubChem CID75485076
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-2-18(10-11-19)15-8-9-16-14(17-15)12-13-6-4-3-5-7-13/h3-9,19H,2,10-12H2,1H3
InChIKeyUUWCEKQMXMXIIB-UHFFFAOYSA-N
XLogP1.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol (CID 75485076) is 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1ccnc(Cc2ccccc2)n1.
What is the InChIKey of 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is UUWCEKQMXMXIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18(10-11-19)15-8-9-16-14(17-15)12-13-6-4-3-5-7-13/h3-9,19H,2,10-12H2,1H3.
What are the key properties of 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol?
2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 257.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylpyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 75485076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).