3-(2-hydroxyethyl)-6-methylpyrimidin-4-one

C7H10N2O2 — CID 61225328

IUPAC3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCO)cn1
InChIInChI=1S/C7H10N2O2/c1-6-4-7(11)9(2-3-10)5-8-6/h4-5,10H,2-3H2,1H3
InChIKeyLZNNYMFGFOXZGT-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.46
Rot. Bonds2

About 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one

3-(2-hydroxyethyl)-6-methylpyrimidin-4-one (PubChem CID 61225328) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
PubChem CID61225328
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCO)cn1
InChIInChI=1S/C7H10N2O2/c1-6-4-7(11)9(2-3-10)5-8-6/h4-5,10H,2-3H2,1H3
InChIKeyLZNNYMFGFOXZGT-UHFFFAOYSA-N
XLogP-0.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one (CID 61225328) is 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCO)cn1.
What is the InChIKey of 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
The InChIKey is LZNNYMFGFOXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6-4-7(11)9(2-3-10)5-8-6/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one?
3-(2-hydroxyethyl)-6-methylpyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 61225328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).