2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol

C16H22N4O — CID 71996386

IUPAC2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1cc(CC)nc(-c2ccncc2)n1
InChIInChI=1S/C16H22N4O/c1-3-9-20(10-11-21)15-12-14(4-2)18-16(19-15)13-5-7-17-8-6-13/h5-8,12,21H,3-4,9-11H2,1-2H3
InChIKeyBRQCICRTEOLGMR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds7

About 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol

2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol (PubChem CID 71996386) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
PubChem CID71996386
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1cc(CC)nc(-c2ccncc2)n1
InChIInChI=1S/C16H22N4O/c1-3-9-20(10-11-21)15-12-14(4-2)18-16(19-15)13-5-7-17-8-6-13/h5-8,12,21H,3-4,9-11H2,1-2H3
InChIKeyBRQCICRTEOLGMR-UHFFFAOYSA-N
XLogP2.31
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol (CID 71996386) is 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1cc(CC)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is BRQCICRTEOLGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-20(10-11-21)15-12-14(4-2)18-16(19-15)13-5-7-17-8-6-13/h5-8,12,21H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol?
2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 71996386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).