1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone

C8H10N2O2 — CID 170286956

IUPAC1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(CCO)nc1
InChIInChI=1S/C8H10N2O2/c1-6(12)7-4-9-8(2-3-11)10-5-7/h4-5,11H,2-3H2,1H3
InChIKeyZDOHAJRWHIWMPL-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.21
Rot. Bonds3

About 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone

1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone (PubChem CID 170286956) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone
PubChem CID170286956
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(CCO)nc1
InChIInChI=1S/C8H10N2O2/c1-6(12)7-4-9-8(2-3-11)10-5-7/h4-5,11H,2-3H2,1H3
InChIKeyZDOHAJRWHIWMPL-UHFFFAOYSA-N
XLogP0.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone (CID 170286956) is 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(CCO)nc1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone?
The InChIKey is ZDOHAJRWHIWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(12)7-4-9-8(2-3-11)10-5-7/h4-5,11H,2-3H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone?
1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 170286956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).