3-(2-hydroxyethyl)pyrimidin-4-one

C6H8N2O2 — CID 63769901

IUPAC3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCO
InChIInChI=1S/C6H8N2O2/c9-4-3-8-5-7-2-1-6(8)10/h1-2,5,9H,3-4H2
InChIKeyHFZYCRPBIIVEAW-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.76
Rot. Bonds2

About 3-(2-hydroxyethyl)pyrimidin-4-one

3-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 63769901) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID63769901
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCO
InChIInChI=1S/C6H8N2O2/c9-4-3-8-5-7-2-1-6(8)10/h1-2,5,9H,3-4H2
InChIKeyHFZYCRPBIIVEAW-UHFFFAOYSA-N
XLogP-0.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)pyrimidin-4-one (CID 63769901) is 3-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)pyrimidin-4-one is O=c1ccncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is HFZYCRPBIIVEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-4-3-8-5-7-2-1-6(8)10/h1-2,5,9H,3-4H2.
What are the key properties of 3-(2-hydroxyethyl)pyrimidin-4-one?
3-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 140.14 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 63769901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).