2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol

C13H15N3O — CID 102924082

IUPAC2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
SMILESCCc1ccc(CC(O)c2cncnc2)nc1
InChIInChI=1S/C13H15N3O/c1-2-10-3-4-12(16-6-10)5-13(17)11-7-14-9-15-8-11/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyAJIPCMISILCFFF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.71
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol

2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol (PubChem CID 102924082) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
PubChem CID102924082
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
SMILESCCc1ccc(CC(O)c2cncnc2)nc1
InChIInChI=1S/C13H15N3O/c1-2-10-3-4-12(16-6-10)5-13(17)11-7-14-9-15-8-11/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyAJIPCMISILCFFF-UHFFFAOYSA-N
XLogP1.71
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
2-(5-ethyl-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937798
1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822400
1-(3-chloro-4-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822386
1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739903
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol (CID 102924082) is 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol is CCc1ccc(CC(O)c2cncnc2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol?
The InChIKey is AJIPCMISILCFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-10-3-4-12(16-6-10)5-13(17)11-7-14-9-15-8-11/h3-4,6-9,13,17H,2,5H2,1H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol?
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol has a molecular weight of 229.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 102924082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).